N-tert-butyl-1-[2-(ethylcarbamoylamino)-7-(4-methoxy-2-pyridinyl)-3H-benzimidazol-5-yl]imidazole-4-carboxamide;1-[4-(4-cyano-2-pyridinyl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]-3-ethylurea;ethyl N-[6-[4-[[(1S)-1-phenylethyl]carbamoyl]imidazol-1-yl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]carbamate

C72H70N22O7 — CID 159150299

IUPACN-tert-butyl-1-[2-(ethylcarbamoylamino)-7-(4-methoxy-2-pyridinyl)-3H-benzimidazol-5-yl]imidazole-4-carboxamide;1-[4-(4-cyano-2-pyridinyl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]-3-ethylurea;ethyl N-[6-[4-[[(1S)-1-phenylethyl]carbamoyl]imidazol-1-yl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]carbamate
SMILESCCNC(=O)Nc1nc2c(-c3cc(C#N)ccn3)cc(-c3cccnc3)cc2[nH]1.CCNC(=O)Nc1nc2c(-c3cc(OC)ccn3)cc(-n3cnc(C(=O)NC(C)(C)C)c3)cc2[nH]1.CCOC(=O)Nc1nc2c(-c3ccccn3)cc(-n3cnc(C(=O)N[C@@H](C)c4ccccc4)c3)cc2[nH]1
InChIInChI=1S/C27H25N7O3.C24H28N8O3.C21H17N7O/c1-3-37-27(36)33-26-31-22-14-19(13-20(24(22)32-26)21-11-7-8-12-28-21)34-15-23(29-16-34)25(35)30-17(2)18-9-5-4-6-10-18;1-6-25-23(34)30-22-28-18-10-14(32-12-19(27-13-32)21(33)31-24(2,3)4)9-16(20(18)29-22)17-11-15(35-5)7-8-26-17;1-2-24-21(29)28-20-26-18-10-15(14-4-3-6-23-12-14)9-16(19(18)27-20)17-8-13(11-22)5-7-25-17/h4-17H,3H2,1-2H3,(H,30,35)(H2,31,32,33,36);7-13H,6H2,1-5H3,(H,31,33)(H3,25,28,29,30,34);3-10,12H,2H2,1H3,(H3,24,26,27,28,29)/t17-;;/m0../s1
InChIKeyKJEQTOJLMWEVNL-RMRYJAPISA-N
MW1355.50 g/mol
LogP12.06
Rot. Bonds17

About N-tert-butyl-1-[2-(ethylcarbamoylamino)-7-(4-methoxy-2-pyridinyl)-3H-benzimidazol-5-yl]imidazole-4-carboxamide;1-[4-(4-cyano-2-pyridinyl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]-3-ethylurea;ethyl N-[6-[4-[[(1S)-1-phenylethyl]carbamoyl]imidazol-1-yl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]carbamate

N-tert-butyl-1-[2-(ethylcarbamoylamino)-7-(4-methoxy-2-pyridinyl)-3H-benzimidazol-5-yl]imidazole-4-carboxamide;1-[4-(4-cyano-2-pyridinyl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]-3-ethylurea;ethyl N-[6-[4-[[(1S)-1-phenylethyl]carbamoyl]imidazol-1-yl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]carbamate (PubChem CID 159150299) has the molecular formula C72H70N22O7 and a molecular weight of 1355.50 g/mol. Its IUPAC name is N-tert-butyl-1-[2-(ethylcarbamoylamino)-7-(4-methoxy-2-pyridinyl)-3H-benzimidazol-5-yl]imidazole-4-carboxamide;1-[4-(4-cyano-2-pyridinyl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]-3-ethylurea;ethyl N-[6-[4-[[(1S)-1-phenylethyl]carbamoyl]imidazol-1-yl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]carbamate.

Molecular Properties

Compound NameN-tert-butyl-1-[2-(ethylcarbamoylamino)-7-(4-methoxy-2-pyridinyl)-3H-benzimidazol-5-yl]imidazole-4-carboxamide;1-[4-(4-cyano-2-pyridinyl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]-3-ethylurea;ethyl N-[6-[4-[[(1S)-1-phenylethyl]carbamoyl]imidazol-1-yl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]carbamate
PubChem CID159150299
Molecular FormulaC72H70N22O7
Molecular Weight1355.50 g/mol
Exact Mass1354.58
IUPAC NameN-tert-butyl-1-[2-(ethylcarbamoylamino)-7-(4-methoxy-2-pyridinyl)-3H-benzimidazol-5-yl]imidazole-4-carboxamide;1-[4-(4-cyano-2-pyridinyl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]-3-ethylurea;ethyl N-[6-[4-[[(1S)-1-phenylethyl]carbamoyl]imidazol-1-yl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]carbamate
SMILESCCNC(=O)Nc1nc2c(-c3cc(C#N)ccn3)cc(-c3cccnc3)cc2[nH]1.CCNC(=O)Nc1nc2c(-c3cc(OC)ccn3)cc(-n3cnc(C(=O)NC(C)(C)C)c3)cc2[nH]1.CCOC(=O)Nc1nc2c(-c3ccccn3)cc(-n3cnc(C(=O)N[C@@H](C)c4ccccc4)c3)cc2[nH]1
InChIInChI=1S/C27H25N7O3.C24H28N8O3.C21H17N7O/c1-3-37-27(36)33-26-31-22-14-19(13-20(24(22)32-26)21-11-7-8-12-28-21)34-15-23(29-16-34)25(35)30-17(2)18-9-5-4-6-10-18;1-6-25-23(34)30-22-28-18-10-14(32-12-19(27-13-32)21(33)31-24(2,3)4)9-16(20(18)29-22)17-11-15(35-5)7-8-26-17;1-2-24-21(29)28-20-26-18-10-15(14-4-3-6-23-12-14)9-16(19(18)27-20)17-8-13(11-22)5-7-25-17/h4-17H,3H2,1-2H3,(H,30,35)(H2,31,32,33,36);7-13H,6H2,1-5H3,(H,31,33)(H3,25,28,29,30,34);3-10,12H,2H2,1H3,(H3,24,26,27,28,29)/t17-;;/m0../s1
InChIKeyKJEQTOJLMWEVNL-RMRYJAPISA-N
XLogP12.06
TPSA385.05 Ų
H-Bond Donors10
H-Bond Acceptors19
Rotatable Bonds17
Heavy Atoms101
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001355.50
LogP ≤ 512.06
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1019

Analyze N-tert-butyl-1-[2-(ethylcarbamoylamino)-7-(4-methoxy-2-pyridinyl)-3H-benzimidazol-5-yl]imidazole-4-carboxamide;1-[4-(4-cyano-2-pyridinyl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]-3-ethylurea;ethyl N-[6-[4-[[(1S)-1-phenylethyl]carbamoyl]imidazol-1-yl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]carbamate with MolForge

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Related Compounds

N-tert-butyl-1-[2-(ethylcarbamoylamino)-7-(4-methoxy-2-pyridinyl)-3H-benzimidazol-5-yl]imidazole-4-carboxamide
CID 44132006
1-[2-(ethylcarbamoylamino)-7-(4-methoxy-2-pyridinyl)-3H-benzimidazol-5-yl]-N-[(1S)-1-phenylethyl]imidazole-4-carboxamide
CID 71232485
N-cyclopropyl-1-[2-(ethylcarbamoylamino)-7-pyridin-1-ium-1-yl-3H-benzimidazol-5-yl]imidazole-4-carboxamide;1-ethyl-3-[4-(4-methoxy-2-pyridinyl)-6-pyrimidin-5-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[4-(6-methoxy-2-pyridinyl)-6-pyrimidin-5-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[4-(4-methyl-2-pyridinyl)-6-[2-oxo-1-(2-oxobutyl)-4-pyridinyl]-1H-benzimidazol-2-yl]urea
CID 157264075
N-tert-butyl-1-[2-(ethylcarbamoylamino)-7-(4-methoxy-2-pyridinyl)-3H-benzimidazol-5-yl]imidazole-4-carboxamide;methane
CID 157437647
1-ethyl-3-[4-(4-methoxy-2-pyridinyl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[4-(6-methoxy-2-pyridinyl)-6-pyrimidin-5-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[4-(4-methyl-2-pyridinyl)-6-[2-oxo-1-(2-oxobutyl)-4-pyridinyl]-1H-benzimidazol-2-yl]urea
CID 157438224
1-[6-(4-cyanoimidazol-1-yl)-4-pyridin-2-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-ethyl-3-[4-[4-(2-methoxyethoxy)-2-pyridinyl]-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-[4-(3-methylbutanoyl)imidazol-1-yl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[4-(1-methylimidazol-4-yl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea
CID 157451886
1-[4-[4-[2-(dimethylamino)ethoxy]-2-pyridinyl]-6-pyridin-3-yl-1H-benzimidazol-2-yl]-3-ethylurea;ethyl N-[4-[4-[2-(dimethylamino)ethoxy]-2-pyridinyl]-6-pyridin-3-yl-1H-benzimidazol-2-yl]carbamate;1-ethyl-3-[6-[1-[(1S)-1-(3-methoxyphenyl)ethyl]-2-methyl-6-oxo-4-pyridinyl]-4-pyrimidin-2-yl-1H-benzimidazol-2-yl]urea;ethyl N-[6-[6-(1-morpholin-4-ylethyl)-3-pyridinyl]-4-pyrimidin-2-yl-1H-benzimidazol-2-yl]carbamate
CID 157571266
1-[4-(4-ethoxy-2-pyridinyl)-6-(2-methoxypyrimidin-5-yl)-1H-benzimidazol-2-yl]-3-ethylurea;1-[4-(4-ethoxy-2-pyridinyl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-[2-(ethylcarbamoylamino)-7-pyridin-2-yl-3H-benzimidazol-5-yl]-N-[(4-fluorophenyl)methyl]imidazole-4-carboxamide;1-ethyl-3-[4-(4-methoxy-2-pyridinyl)-6-(2-methoxypyrimidin-5-yl)-1H-benzimidazol-2-yl]urea
CID 157581043
1-[4-(4-ethoxy-2-pyridinyl)-6-(2-methoxypyrimidin-5-yl)-1H-benzimidazol-2-yl]-3-ethylurea;1-[4-(4-ethoxy-2-pyridinyl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-[2-(ethylcarbamoylamino)-7-pyridin-2-yl-3H-benzimidazol-5-yl]-N-[(4-fluorophenyl)methyl]imidazole-4-carboxamide;1-ethyl-3-[6-[1-[(3-methoxyphenyl)methyl]-2-methyl-6-oxo-4-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]urea
CID 157699351
1-ethyl-3-[4-(4-methoxy-2-pyridinyl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[4-(6-methoxy-2-pyridinyl)-6-pyrimidin-5-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[4-(5-methyl-1H-pyrazol-3-yl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[4-(4-methyl-2-pyridinyl)-6-[2-oxo-1-(2-oxobutyl)-4-pyridinyl]-1H-benzimidazol-2-yl]urea
CID 157840908
ethyl N-[6-[1-[(1-ethylpyrrolidin-2-yl)methyl]-2-methyl-6-oxo-4-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]carbamate;ethyl N-[6-[4-[[(1S)-1-(3-methoxyphenyl)ethyl]carbamoyl]imidazol-1-yl]-4-pyrimidin-2-yl-1H-benzimidazol-2-yl]carbamate;ethyl N-[6-[1-[1-(3-methoxyphenyl)ethyl]-2-methyl-6-oxo-4-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]carbamate
CID 157939602
1-[4-(4-ethoxy-2-pyridinyl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-[2-(ethylcarbamoylamino)-7-pyridin-2-yl-3H-benzimidazol-5-yl]-N-[(4-fluorophenyl)methyl]imidazole-4-carboxamide;1-ethyl-3-[4-[4-(2-methoxyethoxy)-2-pyridinyl]-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-[1-[(3-methoxyphenyl)methyl]-2-methyl-6-oxo-4-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]urea
CID 158297979

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1-[2-(ethylcarbamoylamino)-7-(4-methoxy-2-pyridinyl)-3H-benzimidazol-5-yl]imidazole-4-carboxamide;1-[4-(4-cyano-2-pyridinyl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]-3-ethylurea;ethyl N-[6-[4-[[(1S)-1-phenylethyl]carbamoyl]imidazol-1-yl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]carbamate?
The IUPAC name of N-tert-butyl-1-[2-(ethylcarbamoylamino)-7-(4-methoxy-2-pyridinyl)-3H-benzimidazol-5-yl]imidazole-4-carboxamide;1-[4-(4-cyano-2-pyridinyl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]-3-ethylurea;ethyl N-[6-[4-[[(1S)-1-phenylethyl]carbamoyl]imidazol-1-yl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]carbamate (CID 159150299) is N-tert-butyl-1-[2-(ethylcarbamoylamino)-7-(4-methoxy-2-pyridinyl)-3H-benzimidazol-5-yl]imidazole-4-carboxamide;1-[4-(4-cyano-2-pyridinyl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]-3-ethylurea;ethyl N-[6-[4-[[(1S)-1-phenylethyl]carbamoyl]imidazol-1-yl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]carbamate.
What is the SMILES notation for N-tert-butyl-1-[2-(ethylcarbamoylamino)-7-(4-methoxy-2-pyridinyl)-3H-benzimidazol-5-yl]imidazole-4-carboxamide;1-[4-(4-cyano-2-pyridinyl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]-3-ethylurea;ethyl N-[6-[4-[[(1S)-1-phenylethyl]carbamoyl]imidazol-1-yl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]carbamate?
The canonical SMILES for N-tert-butyl-1-[2-(ethylcarbamoylamino)-7-(4-methoxy-2-pyridinyl)-3H-benzimidazol-5-yl]imidazole-4-carboxamide;1-[4-(4-cyano-2-pyridinyl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]-3-ethylurea;ethyl N-[6-[4-[[(1S)-1-phenylethyl]carbamoyl]imidazol-1-yl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]carbamate is CCNC(=O)Nc1nc2c(-c3cc(C#N)ccn3)cc(-c3cccnc3)cc2[nH]1.CCNC(=O)Nc1nc2c(-c3cc(OC)ccn3)cc(-n3cnc(C(=O)NC(C)(C)C)c3)cc2[nH]1.CCOC(=O)Nc1nc2c(-c3ccccn3)cc(-n3cnc(C(=O)N[C@@H](C)c4ccccc4)c3)cc2[nH]1.
What is the InChIKey of N-tert-butyl-1-[2-(ethylcarbamoylamino)-7-(4-methoxy-2-pyridinyl)-3H-benzimidazol-5-yl]imidazole-4-carboxamide;1-[4-(4-cyano-2-pyridinyl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]-3-ethylurea;ethyl N-[6-[4-[[(1S)-1-phenylethyl]carbamoyl]imidazol-1-yl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]carbamate?
The InChIKey is KJEQTOJLMWEVNL-RMRYJAPISA-N. The full InChI is InChI=1S/C27H25N7O3.C24H28N8O3.C21H17N7O/c1-3-37-27(36)33-26-31-22-14-19(13-20(24(22)32-26)21-11-7-8-12-28-21)34-15-23(29-16-34)25(35)30-17(2)18-9-5-4-6-10-18;1-6-25-23(34)30-22-28-18-10-14(32-12-19(27-13-32)21(33)31-24(2,3)4)9-16(20(18)29-22)17-11-15(35-5)7-8-26-17;1-2-24-21(29)28-20-26-18-10-15(14-4-3-6-23-12-14)9-16(19(18)27-20)17-8-13(11-22)5-7-25-17/h4-17H,3H2,1-2H3,(H,30,35)(H2,31,32,33,36);7-13H,6H2,1-5H3,(H,31,33)(H3,25,28,29,30,34);3-10,12H,2H2,1H3,(H3,24,26,27,28,29)/t17-;;/m0../s1.
What are the key properties of N-tert-butyl-1-[2-(ethylcarbamoylamino)-7-(4-methoxy-2-pyridinyl)-3H-benzimidazol-5-yl]imidazole-4-carboxamide;1-[4-(4-cyano-2-pyridinyl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]-3-ethylurea;ethyl N-[6-[4-[[(1S)-1-phenylethyl]carbamoyl]imidazol-1-yl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]carbamate?
N-tert-butyl-1-[2-(ethylcarbamoylamino)-7-(4-methoxy-2-pyridinyl)-3H-benzimidazol-5-yl]imidazole-4-carboxamide;1-[4-(4-cyano-2-pyridinyl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]-3-ethylurea;ethyl N-[6-[4-[[(1S)-1-phenylethyl]carbamoyl]imidazol-1-yl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]carbamate has a molecular weight of 1355.50 g/mol, XLogP of 12.06, 17 rotatable bonds, 10 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1-[2-(ethylcarbamoylamino)-7-(4-methoxy-2-pyridinyl)-3H-benzimidazol-5-yl]imidazole-4-carboxamide;1-[4-(4-cyano-2-pyridinyl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]-3-ethylurea;ethyl N-[6-[4-[[(1S)-1-phenylethyl]carbamoyl]imidazol-1-yl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]carbamate is sourced from PubChem (CID 159150299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).