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

C73H78FN19O8 — CID 157334641

IUPAC1-[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
SMILESCCNC(=O)Nc1nc2c(-c3cc(OCCN(C)C)ccn3)cc(-c3cccnc3)cc2[nH]1.CCOC(=O)Nc1nc2c(-c3cc(OCCN(C)C)ccn3)cc(-c3cccnc3)cc2[nH]1.CCOC(=O)Nc1nc2c(-c3ncccc3F)cc(-c3ccc(CN4CCOCC4)nc3)cc2[nH]1
InChIInChI=1S/C25H25FN6O3.C24H27N7O2.C24H26N6O3/c1-2-35-25(33)31-24-29-21-13-17(12-19(23(21)30-24)22-20(26)4-3-7-27-22)16-5-6-18(28-14-16)15-32-8-10-34-11-9-32;1-4-26-24(32)30-23-28-21-13-17(16-6-5-8-25-15-16)12-19(22(21)29-23)20-14-18(7-9-27-20)33-11-10-31(2)3;1-4-32-24(31)29-23-27-21-13-17(16-6-5-8-25-15-16)12-19(22(21)28-23)20-14-18(7-9-26-20)33-11-10-30(2)3/h3-7,12-14H,2,8-11,15H2,1H3,(H2,29,30,31,33);5-9,12-15H,4,10-11H2,1-3H3,(H3,26,28,29,30,32);5-9,12-15H,4,10-11H2,1-3H3,(H2,27,28,29,31)
InChIKeyBFRROTCWENLKRR-UHFFFAOYSA-N
MW1368.55 g/mol
LogP12.19
Rot. Bonds22

About 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

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 (PubChem CID 157334641) has the molecular formula C73H78FN19O8 and a molecular weight of 1368.55 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[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
PubChem CID157334641
Molecular FormulaC73H78FN19O8
Molecular Weight1368.55 g/mol
Exact Mass1367.63
IUPAC Name1-[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
SMILESCCNC(=O)Nc1nc2c(-c3cc(OCCN(C)C)ccn3)cc(-c3cccnc3)cc2[nH]1.CCOC(=O)Nc1nc2c(-c3cc(OCCN(C)C)ccn3)cc(-c3cccnc3)cc2[nH]1.CCOC(=O)Nc1nc2c(-c3ncccc3F)cc(-c3ccc(CN4CCOCC4)nc3)cc2[nH]1
InChIInChI=1S/C25H25FN6O3.C24H27N7O2.C24H26N6O3/c1-2-35-25(33)31-24-29-21-13-17(12-19(23(21)30-24)22-20(26)4-3-7-27-22)16-5-6-18(28-14-16)15-32-8-10-34-11-9-32;1-4-26-24(32)30-23-28-21-13-17(16-6-5-8-25-15-16)12-19(22(21)29-23)20-14-18(7-9-27-20)33-11-10-31(2)3;1-4-32-24(31)29-23-27-21-13-17(16-6-5-8-25-15-16)12-19(22(21)28-23)20-14-18(7-9-26-20)33-11-10-30(2)3/h3-7,12-14H,2,8-11,15H2,1H3,(H2,29,30,31,33);5-9,12-15H,4,10-11H2,1-3H3,(H3,26,28,29,30,32);5-9,12-15H,4,10-11H2,1-3H3,(H2,27,28,29,31)
InChIKeyBFRROTCWENLKRR-UHFFFAOYSA-N
XLogP12.19
TPSA318.58 Ų
H-Bond Donors7
H-Bond Acceptors20
Rotatable Bonds22
Heavy Atoms101
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001368.55
LogP ≤ 512.19
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1020

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

1-ethyl-3-[4-(3-fluoro-2-pyridinyl)-6-(5-phenylmethoxy-3-pyridinyl)-1H-benzimidazol-2-yl]urea
CID 11576642
1-ethyl-3-[4-(3-fluoro-2-pyridinyl)-6-(6-pyridin-3-yloxy-3-pyridinyl)-1H-benzimidazol-2-yl]urea
CID 11583607
1-ethyl-3-[4-(3-fluoro-2-pyridinyl)-6-[6-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-3-pyridinyl]-1H-benzimidazol-2-yl]urea
CID 11649967
1-ethyl-3-[4-(3-fluoro-2-pyridinyl)-6-[6-(oxolan-3-yloxy)-3-pyridinyl]-1H-benzimidazol-2-yl]urea
CID 57795122
ethyl N-[4-(3-fluoro-2-pyridinyl)-6-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1H-benzimidazol-2-yl]carbamate
CID 71232467
8-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-benzimidazol-2-yl]-2-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-5,6-dihydro-1,7-naphthyridine
CID 126558910
tert-butyl 4-[[2-[[6-[3-(2,2,2-trifluoroethoxy)pyridin-4-yl]-1H-benzimidazol-2-yl]amino]pyridin-4-yl]methyl]piperazine-1-carboxylate
CID 129245214
6-[5-[(benzylamino)methyl]-3-pyridinyl]-2-[C-[4-[3-[2-(dimethylamino)ethoxy]-5-fluorophenyl]-1H-benzimidazol-2-yl]-N-ethylcarbonimidoyl]pyridin-3-amine
CID 145249621
2-[3-fluoro-5-[2-[2-methyl-5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-3-yl]-1H-benzimidazol-4-yl]phenoxy]-N,N-dimethylethanamine
CID 145249783
tert-butyl 4-[[2-[[6-[3-(2,2,2-trifluoroethoxy)-4-pyridinyl]-1H-benzimidazol-2-yl]methyl]-4-pyridinyl]methyl]piperazine-1-carboxylate
CID 161730244
1,3-difluoro-2-methylbenzene;1,5-dimethylpyrrolo[2,3-b]pyridine;2-methoxy-5-methylpyrazine;2-methoxy-5-methylpyridine;6-methyl-1H-benzimidazole;6-methyl-2,3-dihydrofuro[3,2-b]pyridine;7-methyl-2,3-dihydrofuro[3,2-b]pyridine;5-methyl-1H-indole;5-methyl-1H-pyrrolo[2,3-b]pyridine;5-methyl-2-(trifluoromethyl)pyridine;toluene
CID 164992476
N-[4-[2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]-3,4-dimethylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide;N-[4-[2-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)anilino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide;N-[4-[2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide;N-[4-[2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide;N-[4-[[2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]-4-methyl-1H-benzimidazol-5-yl]oxy]-2-pyridinyl]acetamide;N-[4-[2-(2-fluoro-4-methylanilino)-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide;N-[4-[[2-(2-fluoro-4-methylanilino)-4-methyl-1H-benzimidazol-5-yl]oxy]-2-pyridinyl]acetamide
CID 165028581

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCNC(=O)Nc1nc2c(-c3cc(OCCN(C)C)ccn3)cc(-c3cccnc3)cc2[nH]1.CCOC(=O)Nc1nc2c(-c3cc(OCCN(C)C)ccn3)cc(-c3cccnc3)cc2[nH]1.CCOC(=O)Nc1nc2c(-c3ncccc3F)cc(-c3ccc(CN4CCOCC4)nc3)cc2[nH]1.
What is the InChIKey of 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?
The InChIKey is BFRROTCWENLKRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN6O3.C24H27N7O2.C24H26N6O3/c1-2-35-25(33)31-24-29-21-13-17(12-19(23(21)30-24)22-20(26)4-3-7-27-22)16-5-6-18(28-14-16)15-32-8-10-34-11-9-32;1-4-26-24(32)30-23-28-21-13-17(16-6-5-8-25-15-16)12-19(22(21)29-23)20-14-18(7-9-27-20)33-11-10-31(2)3;1-4-32-24(31)29-23-27-21-13-17(16-6-5-8-25-15-16)12-19(22(21)28-23)20-14-18(7-9-26-20)33-11-10-30(2)3/h3-7,12-14H,2,8-11,15H2,1H3,(H2,29,30,31,33);5-9,12-15H,4,10-11H2,1-3H3,(H3,26,28,29,30,32);5-9,12-15H,4,10-11H2,1-3H3,(H2,27,28,29,31).
What are the key properties of 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?
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 has a molecular weight of 1368.55 g/mol, XLogP of 12.19, 22 rotatable bonds, 7 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157334641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).