6-[(2-cyclopentylacetyl)amino]-3-methyl-2-[(2R)-oxolan-2-yl]-N-(pyridin-4-ylmethyl)benzimidazole-4-carboxamide

C26H31N5O3 — CID 42170054

IUPAC6-[(2-cyclopentylacetyl)amino]-3-methyl-2-[(2R)-oxolan-2-yl]-N-(pyridin-4-ylmethyl)benzimidazole-4-carboxamide
SMILESCn1c([C@H]2CCCO2)nc2cc(NC(=O)CC3CCCC3)cc(C(=O)NCc3ccncc3)c21
InChIInChI=1S/C26H31N5O3/c1-31-24-20(26(33)28-16-18-8-10-27-11-9-18)14-19(29-23(32)13-17-5-2-3-6-17)15-21(24)30-25(31)22-7-4-12-34-22/h8-11,14-15,17,22H,2-7,12-13,16H2,1H3,(H,28,33)(H,29,32)/t22-/m1/s1
InChIKeyKYYNIEPDAVCLHD-JOCHJYFZSA-N
MW461.57 g/mol
LogP4.27
Rot. Bonds7

About 6-[(2-cyclopentylacetyl)amino]-3-methyl-2-[(2R)-oxolan-2-yl]-N-(pyridin-4-ylmethyl)benzimidazole-4-carboxamide

6-[(2-cyclopentylacetyl)amino]-3-methyl-2-[(2R)-oxolan-2-yl]-N-(pyridin-4-ylmethyl)benzimidazole-4-carboxamide (PubChem CID 42170054) has the molecular formula C26H31N5O3 and a molecular weight of 461.57 g/mol. Its IUPAC name is 6-[(2-cyclopentylacetyl)amino]-3-methyl-2-[(2R)-oxolan-2-yl]-N-(pyridin-4-ylmethyl)benzimidazole-4-carboxamide.

Molecular Properties

Compound Name6-[(2-cyclopentylacetyl)amino]-3-methyl-2-[(2R)-oxolan-2-yl]-N-(pyridin-4-ylmethyl)benzimidazole-4-carboxamide
PubChem CID42170054
Molecular FormulaC26H31N5O3
Molecular Weight461.57 g/mol
Exact Mass461.24
IUPAC Name6-[(2-cyclopentylacetyl)amino]-3-methyl-2-[(2R)-oxolan-2-yl]-N-(pyridin-4-ylmethyl)benzimidazole-4-carboxamide
SMILESCn1c([C@H]2CCCO2)nc2cc(NC(=O)CC3CCCC3)cc(C(=O)NCc3ccncc3)c21
InChIInChI=1S/C26H31N5O3/c1-31-24-20(26(33)28-16-18-8-10-27-11-9-18)14-19(29-23(32)13-17-5-2-3-6-17)15-21(24)30-25(31)22-7-4-12-34-22/h8-11,14-15,17,22H,2-7,12-13,16H2,1H3,(H,28,33)(H,29,32)/t22-/m1/s1
InChIKeyKYYNIEPDAVCLHD-JOCHJYFZSA-N
XLogP4.27
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.57
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-[(2-cyclopentylacetyl)amino]-3-methyl-2-[(2R)-oxolan-2-yl]-N-(pyridin-4-ylmethyl)benzimidazole-4-carboxamide with MolForge

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Related Compounds

6-[(2-cyclopentylacetyl)amino]-3-methyl-N-(2-methylpropyl)-2-(oxolan-2-yl)benzimidazole-4-carboxamide
CID 45189679
6-[(2-cyclopentylacetyl)amino]-N,3-dimethyl-N-[(4-methylphenyl)methyl]-2-(oxolan-2-yl)benzimidazole-4-carboxamide
CID 45191558
2-cyclopentyl-N-[7-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-1-methyl-2-[(2R)-oxolan-2-yl]benzimidazol-5-yl]acetamide
CID 29029403
2-cyclopentyl-N-pyridin-4-ylacetamide
CID 11839759
N-[[4-[(2-cyclohexylacetyl)amino]phenyl]methyl]pyridine-3-carboxamide
CID 108925756
N-[(4-chlorophenyl)methyl]-6-(cyclohexanecarbonylamino)-3-(2-methoxyethyl)benzimidazole-4-carboxamide
CID 42484927
N-benzyl-2-[2-(oxolan-2-yl)benzimidazol-1-yl]acetamide
CID 17033297
2-(cyclopropylmethylamino)-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]acetamide
CID 119860392
3-N-cyclooctyl-4-oxo-1-[[(2S)-oxolan-2-yl]methyl]-5-N-(pyridin-4-ylmethyl)pyridine-3,5-dicarboxamide
CID 42163361
2-cyclopropyl-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide
CID 42537662
N-[3-[[(2-cyclopentylacetyl)amino]methyl]phenyl]pyridine-3-carboxamide
CID 108926494
5-(3-methylbutanoylamino)-1-propyl-N-(pyridin-4-ylmethyl)indole-2-carboxamide
CID 83281992

Frequently Asked Questions

What is the IUPAC name of 6-[(2-cyclopentylacetyl)amino]-3-methyl-2-[(2R)-oxolan-2-yl]-N-(pyridin-4-ylmethyl)benzimidazole-4-carboxamide?
The IUPAC name of 6-[(2-cyclopentylacetyl)amino]-3-methyl-2-[(2R)-oxolan-2-yl]-N-(pyridin-4-ylmethyl)benzimidazole-4-carboxamide (CID 42170054) is 6-[(2-cyclopentylacetyl)amino]-3-methyl-2-[(2R)-oxolan-2-yl]-N-(pyridin-4-ylmethyl)benzimidazole-4-carboxamide.
What is the SMILES notation for 6-[(2-cyclopentylacetyl)amino]-3-methyl-2-[(2R)-oxolan-2-yl]-N-(pyridin-4-ylmethyl)benzimidazole-4-carboxamide?
The canonical SMILES for 6-[(2-cyclopentylacetyl)amino]-3-methyl-2-[(2R)-oxolan-2-yl]-N-(pyridin-4-ylmethyl)benzimidazole-4-carboxamide is Cn1c([C@H]2CCCO2)nc2cc(NC(=O)CC3CCCC3)cc(C(=O)NCc3ccncc3)c21.
What is the InChIKey of 6-[(2-cyclopentylacetyl)amino]-3-methyl-2-[(2R)-oxolan-2-yl]-N-(pyridin-4-ylmethyl)benzimidazole-4-carboxamide?
The InChIKey is KYYNIEPDAVCLHD-JOCHJYFZSA-N. The full InChI is InChI=1S/C26H31N5O3/c1-31-24-20(26(33)28-16-18-8-10-27-11-9-18)14-19(29-23(32)13-17-5-2-3-6-17)15-21(24)30-25(31)22-7-4-12-34-22/h8-11,14-15,17,22H,2-7,12-13,16H2,1H3,(H,28,33)(H,29,32)/t22-/m1/s1.
What are the key properties of 6-[(2-cyclopentylacetyl)amino]-3-methyl-2-[(2R)-oxolan-2-yl]-N-(pyridin-4-ylmethyl)benzimidazole-4-carboxamide?
6-[(2-cyclopentylacetyl)amino]-3-methyl-2-[(2R)-oxolan-2-yl]-N-(pyridin-4-ylmethyl)benzimidazole-4-carboxamide has a molecular weight of 461.57 g/mol, XLogP of 4.27, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-cyclopentylacetyl)amino]-3-methyl-2-[(2R)-oxolan-2-yl]-N-(pyridin-4-ylmethyl)benzimidazole-4-carboxamide is sourced from PubChem (CID 42170054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).