2-(1H-benzimidazol-2-yl)-1-[4-(2-cyclobutylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]ethanone

C24H26N6O — CID 42276477

IUPAC2-(1H-benzimidazol-2-yl)-1-[4-(2-cyclobutylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]ethanone
SMILESO=C(Cc1nc2ccccc2[nH]1)N1CCC(n2c(C3CCC3)nc3cccnc32)CC1
InChIInChI=1S/C24H26N6O/c31-22(15-21-26-18-7-1-2-8-19(18)27-21)29-13-10-17(11-14-29)30-23(16-5-3-6-16)28-20-9-4-12-25-24(20)30/h1-2,4,7-9,12,16-17H,3,5-6,10-11,13-15H2,(H,26,27)
InChIKeyAFTPHESQFFPHHI-UHFFFAOYSA-N
MW414.51 g/mol
LogP3.98
Rot. Bonds4

About 2-(1H-benzimidazol-2-yl)-1-[4-(2-cyclobutylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]ethanone

2-(1H-benzimidazol-2-yl)-1-[4-(2-cyclobutylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]ethanone (PubChem CID 42276477) has the molecular formula C24H26N6O and a molecular weight of 414.51 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-yl)-1-[4-(2-cyclobutylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-yl)-1-[4-(2-cyclobutylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]ethanone
PubChem CID42276477
Molecular FormulaC24H26N6O
Molecular Weight414.51 g/mol
Exact Mass414.22
IUPAC Name2-(1H-benzimidazol-2-yl)-1-[4-(2-cyclobutylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]ethanone
SMILESO=C(Cc1nc2ccccc2[nH]1)N1CCC(n2c(C3CCC3)nc3cccnc32)CC1
InChIInChI=1S/C24H26N6O/c31-22(15-21-26-18-7-1-2-8-19(18)27-21)29-13-10-17(11-14-29)30-23(16-5-3-6-16)28-20-9-4-12-25-24(20)30/h1-2,4,7-9,12,16-17H,3,5-6,10-11,13-15H2,(H,26,27)
InChIKeyAFTPHESQFFPHHI-UHFFFAOYSA-N
XLogP3.98
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(2-cyclobutylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]-3-(1H-indol-3-yl)propan-1-one
CID 42362458
1-[4-(2-cyclobutylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]-2-(3,4,5-trimethoxyphenyl)ethanone
CID 42480259
2-(1H-benzimidazol-2-yl)-1-[(4R)-4-(dimethylamino)azepan-1-yl]ethanone
CID 126439280
2-(1H-benzimidazol-2-yl)-1-[(4S)-4-methylazepan-1-yl]ethanone
CID 126432563
1-[(3R)-3-(2-cyclopentylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]-2-ethoxyethanone
CID 95108212
[4-(2-cyclobutylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]-(1,2,5-thiadiazol-3-yl)methanone
CID 42432778
cyclohexyl-[3-(2-cyclopentylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]methanone
CID 53186782
(3S)-N-benzyl-3-(2-cyclopentylimidazo[4,5-b]pyridin-3-yl)pyrrolidine-1-carboxamide
CID 95108431
1-[(3S)-3-(2-cyclopentylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 95108227
4-(1H-benzimidazol-2-ylmethyl)piperidine-1-carboxylic acid
CID 67434741
3-(2-cyclopentylimidazo[4,5-b]pyridin-3-yl)-N-(4-ethoxyphenyl)pyrrolidine-1-carboxamide
CID 53186908
[4-(2-ethylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]-(1H-indol-2-yl)methanone
CID 95826189

Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-yl)-1-[4-(2-cyclobutylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(1H-benzimidazol-2-yl)-1-[4-(2-cyclobutylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]ethanone (CID 42276477) is 2-(1H-benzimidazol-2-yl)-1-[4-(2-cyclobutylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(1H-benzimidazol-2-yl)-1-[4-(2-cyclobutylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(1H-benzimidazol-2-yl)-1-[4-(2-cyclobutylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]ethanone is O=C(Cc1nc2ccccc2[nH]1)N1CCC(n2c(C3CCC3)nc3cccnc32)CC1.
What is the InChIKey of 2-(1H-benzimidazol-2-yl)-1-[4-(2-cyclobutylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]ethanone?
The InChIKey is AFTPHESQFFPHHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O/c31-22(15-21-26-18-7-1-2-8-19(18)27-21)29-13-10-17(11-14-29)30-23(16-5-3-6-16)28-20-9-4-12-25-24(20)30/h1-2,4,7-9,12,16-17H,3,5-6,10-11,13-15H2,(H,26,27).
What are the key properties of 2-(1H-benzimidazol-2-yl)-1-[4-(2-cyclobutylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]ethanone?
2-(1H-benzimidazol-2-yl)-1-[4-(2-cyclobutylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]ethanone has a molecular weight of 414.51 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-yl)-1-[4-(2-cyclobutylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 42276477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).