1-[4-(4-ethoxy-2-pyridinyl)-6-(1-methyl-2-oxo-4-pyridinyl)-1H-benzimidazol-2-yl]-3-ethylurea;ethyl N-[6-[4-(cyclopropylcarbamoyl)imidazol-1-yl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]carbamate;1-ethyl-3-[4-(3-fluoro-2-pyridinyl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea

C65H62FN19O7 — CID 158674498

IUPAC1-[4-(4-ethoxy-2-pyridinyl)-6-(1-methyl-2-oxo-4-pyridinyl)-1H-benzimidazol-2-yl]-3-ethylurea;ethyl N-[6-[4-(cyclopropylcarbamoyl)imidazol-1-yl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]carbamate;1-ethyl-3-[4-(3-fluoro-2-pyridinyl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea
SMILESCCNC(=O)Nc1nc2c(-c3cc(OCC)ccn3)cc(-c3ccn(C)c(=O)c3)cc2[nH]1.CCNC(=O)Nc1nc2c(-c3ncccc3F)cc(-c3cccnc3)cc2[nH]1.CCOC(=O)Nc1nc2c(-c3ccccn3)cc(-n3cnc(C(=O)NC4CC4)c3)cc2[nH]1
InChIInChI=1S/C23H24N6O3.C22H21N7O3.C20H17FN6O/c1-4-24-23(31)28-22-26-19-11-15(14-7-9-29(3)20(30)12-14)10-17(21(19)27-22)18-13-16(32-5-2)6-8-25-18;1-2-32-22(31)28-21-26-17-10-14(9-15(19(17)27-21)16-5-3-4-8-23-16)29-11-18(24-12-29)20(30)25-13-6-7-13;1-2-23-20(28)27-19-25-16-10-13(12-5-3-7-22-11-12)9-14(18(16)26-19)17-15(21)6-4-8-24-17/h6-13H,4-5H2,1-3H3,(H3,24,26,27,28,31);3-5,8-13H,2,6-7H2,1H3,(H,25,30)(H2,26,27,28,31);3-11H,2H2,1H3,(H3,23,25,26,27,28)
InChIKeyIEIQRTPEPSKNIT-UHFFFAOYSA-N
MW1240.33 g/mol
LogP10.77
Rot. Bonds16

About 1-[4-(4-ethoxy-2-pyridinyl)-6-(1-methyl-2-oxo-4-pyridinyl)-1H-benzimidazol-2-yl]-3-ethylurea;ethyl N-[6-[4-(cyclopropylcarbamoyl)imidazol-1-yl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]carbamate;1-ethyl-3-[4-(3-fluoro-2-pyridinyl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea

1-[4-(4-ethoxy-2-pyridinyl)-6-(1-methyl-2-oxo-4-pyridinyl)-1H-benzimidazol-2-yl]-3-ethylurea;ethyl N-[6-[4-(cyclopropylcarbamoyl)imidazol-1-yl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]carbamate;1-ethyl-3-[4-(3-fluoro-2-pyridinyl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea (PubChem CID 158674498) has the molecular formula C65H62FN19O7 and a molecular weight of 1240.33 g/mol. Its IUPAC name is 1-[4-(4-ethoxy-2-pyridinyl)-6-(1-methyl-2-oxo-4-pyridinyl)-1H-benzimidazol-2-yl]-3-ethylurea;ethyl N-[6-[4-(cyclopropylcarbamoyl)imidazol-1-yl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]carbamate;1-ethyl-3-[4-(3-fluoro-2-pyridinyl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea.

Molecular Properties

Compound Name1-[4-(4-ethoxy-2-pyridinyl)-6-(1-methyl-2-oxo-4-pyridinyl)-1H-benzimidazol-2-yl]-3-ethylurea;ethyl N-[6-[4-(cyclopropylcarbamoyl)imidazol-1-yl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]carbamate;1-ethyl-3-[4-(3-fluoro-2-pyridinyl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea
PubChem CID158674498
Molecular FormulaC65H62FN19O7
Molecular Weight1240.33 g/mol
Exact Mass1239.51
IUPAC Name1-[4-(4-ethoxy-2-pyridinyl)-6-(1-methyl-2-oxo-4-pyridinyl)-1H-benzimidazol-2-yl]-3-ethylurea;ethyl N-[6-[4-(cyclopropylcarbamoyl)imidazol-1-yl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]carbamate;1-ethyl-3-[4-(3-fluoro-2-pyridinyl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea
SMILESCCNC(=O)Nc1nc2c(-c3cc(OCC)ccn3)cc(-c3ccn(C)c(=O)c3)cc2[nH]1.CCNC(=O)Nc1nc2c(-c3ncccc3F)cc(-c3cccnc3)cc2[nH]1.CCOC(=O)Nc1nc2c(-c3ccccn3)cc(-n3cnc(C(=O)NC4CC4)c3)cc2[nH]1
InChIInChI=1S/C23H24N6O3.C22H21N7O3.C20H17FN6O/c1-4-24-23(31)28-22-26-19-11-15(14-7-9-29(3)20(30)12-14)10-17(21(19)27-22)18-13-16(32-5-2)6-8-25-18;1-2-32-22(31)28-21-26-17-10-14(9-15(19(17)27-21)16-5-3-4-8-23-16)29-11-18(24-12-29)20(30)25-13-6-7-13;1-2-23-20(28)27-19-25-16-10-13(12-5-3-7-22-11-12)9-14(18(16)26-19)17-15(21)6-4-8-24-17/h6-13H,4-5H2,1-3H3,(H3,24,26,27,28,31);3-5,8-13H,2,6-7H2,1H3,(H,25,30)(H2,26,27,28,31);3-11H,2H2,1H3,(H3,23,25,26,27,28)
InChIKeyIEIQRTPEPSKNIT-UHFFFAOYSA-N
XLogP10.77
TPSA336.34 Ų
H-Bond Donors9
H-Bond Acceptors17
Rotatable Bonds16
Heavy Atoms92
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001240.33
LogP ≤ 510.77
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1017

Analyze 1-[4-(4-ethoxy-2-pyridinyl)-6-(1-methyl-2-oxo-4-pyridinyl)-1H-benzimidazol-2-yl]-3-ethylurea;ethyl N-[6-[4-(cyclopropylcarbamoyl)imidazol-1-yl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]carbamate;1-ethyl-3-[4-(3-fluoro-2-pyridinyl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea with MolForge

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Related Compounds

[5-[[4-[4-(2,2-difluoropropoxy)-2-pyridinyl]pyrimidin-2-yl]amino]-1H-indol-2-yl]-(4-methylpiperazin-1-yl)methanone;(4-methylpiperazin-1-yl)-[5-[[4-(4-prop-2-enoxy-2-pyridinyl)pyrimidin-2-yl]amino]-1H-indol-2-yl]methanone;N-methyl-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-2,3-dihydroindole-1-carboxamide;1-methyl-N-(4-pyridin-2-ylpyrimidin-2-yl)benzimidazol-5-amine
CID 160793957
((S)-1-{(S)-2-[5-(4-Benzyloxy-5-{2-[(S)-1-((S)-2-methoxycarbonylamino-3-methyl-butyryl)-pyrrolidin-2-yl]-1H-benzoimidazol-5-yl}-pyrimidin-2-yl)-1H-benzoimidazol-2-yl]-pyrrolidine-1-carbonyl}-2-methyl-propyl)-carbamic acid methyl ester
CID 67312877
methyl N-[1-[2-[6-[2-[2-[1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]-4-phenylmethoxypyrimidin-5-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 67312880
methyl N-[(2S)-3-methyl-1-[(2S)-2-[6-[5-[2-[(2S)-1-(3-methylbutanoyl)pyrrolidin-2-yl]-3H-benzimidazol-5-yl]-4-phenylmethoxypyrimidin-2-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate
CID 70802357
1-[2-(ethylcarbamoylamino)-7-(4-methoxy-2-pyridinyl)-3H-benzimidazol-5-yl]-N-[(1S)-1-phenylethyl]imidazole-4-carboxamide
CID 71232485
methyl N-[1-[2-[6-[2-[2-[1-[2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]-4-phenylmethoxypyrimidin-5-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 77264970
methyl N-[(2S)-1-[(2S)-2-[5-[5-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]-4-phenylmethoxypyrimidin-2-yl]-1H-indol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 90369905
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
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;ethyl N-[4-(3-fluoro-2-pyridinyl)-6-[6-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-benzimidazol-2-yl]carbamate
CID 157334641
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

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-ethoxy-2-pyridinyl)-6-(1-methyl-2-oxo-4-pyridinyl)-1H-benzimidazol-2-yl]-3-ethylurea;ethyl N-[6-[4-(cyclopropylcarbamoyl)imidazol-1-yl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]carbamate;1-ethyl-3-[4-(3-fluoro-2-pyridinyl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea?
The IUPAC name of 1-[4-(4-ethoxy-2-pyridinyl)-6-(1-methyl-2-oxo-4-pyridinyl)-1H-benzimidazol-2-yl]-3-ethylurea;ethyl N-[6-[4-(cyclopropylcarbamoyl)imidazol-1-yl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]carbamate;1-ethyl-3-[4-(3-fluoro-2-pyridinyl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea (CID 158674498) is 1-[4-(4-ethoxy-2-pyridinyl)-6-(1-methyl-2-oxo-4-pyridinyl)-1H-benzimidazol-2-yl]-3-ethylurea;ethyl N-[6-[4-(cyclopropylcarbamoyl)imidazol-1-yl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]carbamate;1-ethyl-3-[4-(3-fluoro-2-pyridinyl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea.
What is the SMILES notation for 1-[4-(4-ethoxy-2-pyridinyl)-6-(1-methyl-2-oxo-4-pyridinyl)-1H-benzimidazol-2-yl]-3-ethylurea;ethyl N-[6-[4-(cyclopropylcarbamoyl)imidazol-1-yl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]carbamate;1-ethyl-3-[4-(3-fluoro-2-pyridinyl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea?
The canonical SMILES for 1-[4-(4-ethoxy-2-pyridinyl)-6-(1-methyl-2-oxo-4-pyridinyl)-1H-benzimidazol-2-yl]-3-ethylurea;ethyl N-[6-[4-(cyclopropylcarbamoyl)imidazol-1-yl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]carbamate;1-ethyl-3-[4-(3-fluoro-2-pyridinyl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea is CCNC(=O)Nc1nc2c(-c3cc(OCC)ccn3)cc(-c3ccn(C)c(=O)c3)cc2[nH]1.CCNC(=O)Nc1nc2c(-c3ncccc3F)cc(-c3cccnc3)cc2[nH]1.CCOC(=O)Nc1nc2c(-c3ccccn3)cc(-n3cnc(C(=O)NC4CC4)c3)cc2[nH]1.
What is the InChIKey of 1-[4-(4-ethoxy-2-pyridinyl)-6-(1-methyl-2-oxo-4-pyridinyl)-1H-benzimidazol-2-yl]-3-ethylurea;ethyl N-[6-[4-(cyclopropylcarbamoyl)imidazol-1-yl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]carbamate;1-ethyl-3-[4-(3-fluoro-2-pyridinyl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea?
The InChIKey is IEIQRTPEPSKNIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O3.C22H21N7O3.C20H17FN6O/c1-4-24-23(31)28-22-26-19-11-15(14-7-9-29(3)20(30)12-14)10-17(21(19)27-22)18-13-16(32-5-2)6-8-25-18;1-2-32-22(31)28-21-26-17-10-14(9-15(19(17)27-21)16-5-3-4-8-23-16)29-11-18(24-12-29)20(30)25-13-6-7-13;1-2-23-20(28)27-19-25-16-10-13(12-5-3-7-22-11-12)9-14(18(16)26-19)17-15(21)6-4-8-24-17/h6-13H,4-5H2,1-3H3,(H3,24,26,27,28,31);3-5,8-13H,2,6-7H2,1H3,(H,25,30)(H2,26,27,28,31);3-11H,2H2,1H3,(H3,23,25,26,27,28).
What are the key properties of 1-[4-(4-ethoxy-2-pyridinyl)-6-(1-methyl-2-oxo-4-pyridinyl)-1H-benzimidazol-2-yl]-3-ethylurea;ethyl N-[6-[4-(cyclopropylcarbamoyl)imidazol-1-yl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]carbamate;1-ethyl-3-[4-(3-fluoro-2-pyridinyl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea?
1-[4-(4-ethoxy-2-pyridinyl)-6-(1-methyl-2-oxo-4-pyridinyl)-1H-benzimidazol-2-yl]-3-ethylurea;ethyl N-[6-[4-(cyclopropylcarbamoyl)imidazol-1-yl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]carbamate;1-ethyl-3-[4-(3-fluoro-2-pyridinyl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea has a molecular weight of 1240.33 g/mol, XLogP of 10.77, 16 rotatable bonds, 9 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-ethoxy-2-pyridinyl)-6-(1-methyl-2-oxo-4-pyridinyl)-1H-benzimidazol-2-yl]-3-ethylurea;ethyl N-[6-[4-(cyclopropylcarbamoyl)imidazol-1-yl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]carbamate;1-ethyl-3-[4-(3-fluoro-2-pyridinyl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea is sourced from PubChem (CID 158674498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).