3-methyl-N-[3-(5-propanoyl-2-pyridin-2-ylbenzimidazol-1-yl)cyclohexyl]-1,2-oxazole-5-carboxamide

C26H27N5O3 — CID 167635051

IUPAC3-methyl-N-[3-(5-propanoyl-2-pyridin-2-ylbenzimidazol-1-yl)cyclohexyl]-1,2-oxazole-5-carboxamide
SMILESCCC(=O)c1ccc2c(c1)nc(-c1ccccn1)n2C1CCCC(NC(=O)c2cc(C)no2)C1
InChIInChI=1S/C26H27N5O3/c1-3-23(32)17-10-11-22-21(14-17)29-25(20-9-4-5-12-27-20)31(22)19-8-6-7-18(15-19)28-26(33)24-13-16(2)30-34-24/h4-5,9-14,18-19H,3,6-8,15H2,1-2H3,(H,28,33)
InChIKeyUUXLUAPZYQPLIE-UHFFFAOYSA-N
MW457.53 g/mol
LogP4.90
Rot. Bonds6

About 3-methyl-N-[3-(5-propanoyl-2-pyridin-2-ylbenzimidazol-1-yl)cyclohexyl]-1,2-oxazole-5-carboxamide

3-methyl-N-[3-(5-propanoyl-2-pyridin-2-ylbenzimidazol-1-yl)cyclohexyl]-1,2-oxazole-5-carboxamide (PubChem CID 167635051) has the molecular formula C26H27N5O3 and a molecular weight of 457.53 g/mol. Its IUPAC name is 3-methyl-N-[3-(5-propanoyl-2-pyridin-2-ylbenzimidazol-1-yl)cyclohexyl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[3-(5-propanoyl-2-pyridin-2-ylbenzimidazol-1-yl)cyclohexyl]-1,2-oxazole-5-carboxamide
PubChem CID167635051
Molecular FormulaC26H27N5O3
Molecular Weight457.53 g/mol
Exact Mass457.21
IUPAC Name3-methyl-N-[3-(5-propanoyl-2-pyridin-2-ylbenzimidazol-1-yl)cyclohexyl]-1,2-oxazole-5-carboxamide
SMILESCCC(=O)c1ccc2c(c1)nc(-c1ccccn1)n2C1CCCC(NC(=O)c2cc(C)no2)C1
InChIInChI=1S/C26H27N5O3/c1-3-23(32)17-10-11-22-21(14-17)29-25(20-9-4-5-12-27-20)31(22)19-8-6-7-18(15-19)28-26(33)24-13-16(2)30-34-24/h4-5,9-14,18-19H,3,6-8,15H2,1-2H3,(H,28,33)
InChIKeyUUXLUAPZYQPLIE-UHFFFAOYSA-N
XLogP4.90
TPSA102.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.53
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-methyl-N-[3-(5-propanoyl-2-pyridin-2-ylbenzimidazol-1-yl)cyclohexyl]-1,3-thiazole-5-carboxamide
CID 167635052
2-bromo-N-[3-(5-propanoyl-2-pyridin-2-ylbenzimidazol-1-yl)cyclohexyl]-1,3-thiazole-5-carboxamide
CID 164935726
N-[(1R,3S)-3-[2-(5-hydroxy-2-pyridinyl)-5-propanoylbenzimidazol-1-yl]cyclohexyl]-5-methylthiophene-2-carboxamide
CID 167574292
5-[5-[2-[(1S,3R)-3-(5-propanoyl-2-pyridin-2-ylbenzimidazol-1-yl)cyclohexyl]acetyl]thiophen-2-yl]pent-1-en-3-one
CID 167539768
(Z)-2-methylsulfanyl-N-[3-(2-phenyl-5-propanoylbenzimidazol-1-yl)cyclohexyl]but-2-enamide
CID 167638379
1-[1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclopentyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one
CID 167560955
1-[1-[(1R,3S)-3-[2-[5-(1,1-difluoroethyl)thiophen-2-yl]-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-[1-[(1R,3S)-3-[2-(3-methylphenyl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-[1-[(1R,3S)-3-[2-(4-methylphenyl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-[1-[(1R,3S)-3-phenacylcyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one
CID 167693185
5-methyl-N-[(1R,3S)-3-[5-propanoyl-2-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)benzimidazol-1-yl]cyclohexyl]thiophene-2-carboxamide
CID 167532900
1-[2-(3-hydroxy-2-pyridinyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one
CID 167607121
5-bromo-N-[(1S,3R)-3-[6-(4-methyltriazol-2-yl)-2-pyridin-2-ylimidazo[4,5-c]pyridin-1-yl]cyclohexyl]thiophene-2-carboxamide
CID 168886291
1-cyclohexyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-pyridin-2-ylbenzimidazole-5-carboxamide;1-cyclohexyl-2-pyridin-2-ylbenzimidazole-5-carboxylic acid;2-(3,4-dimethoxyphenyl)ethanamine
CID 158477820
1-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyrimidin-4-ylbenzimidazol-5-yl]propan-1-one
CID 167531924

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[3-(5-propanoyl-2-pyridin-2-ylbenzimidazol-1-yl)cyclohexyl]-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-methyl-N-[3-(5-propanoyl-2-pyridin-2-ylbenzimidazol-1-yl)cyclohexyl]-1,2-oxazole-5-carboxamide (CID 167635051) is 3-methyl-N-[3-(5-propanoyl-2-pyridin-2-ylbenzimidazol-1-yl)cyclohexyl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-methyl-N-[3-(5-propanoyl-2-pyridin-2-ylbenzimidazol-1-yl)cyclohexyl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-methyl-N-[3-(5-propanoyl-2-pyridin-2-ylbenzimidazol-1-yl)cyclohexyl]-1,2-oxazole-5-carboxamide is CCC(=O)c1ccc2c(c1)nc(-c1ccccn1)n2C1CCCC(NC(=O)c2cc(C)no2)C1.
What is the InChIKey of 3-methyl-N-[3-(5-propanoyl-2-pyridin-2-ylbenzimidazol-1-yl)cyclohexyl]-1,2-oxazole-5-carboxamide?
The InChIKey is UUXLUAPZYQPLIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O3/c1-3-23(32)17-10-11-22-21(14-17)29-25(20-9-4-5-12-27-20)31(22)19-8-6-7-18(15-19)28-26(33)24-13-16(2)30-34-24/h4-5,9-14,18-19H,3,6-8,15H2,1-2H3,(H,28,33).
What are the key properties of 3-methyl-N-[3-(5-propanoyl-2-pyridin-2-ylbenzimidazol-1-yl)cyclohexyl]-1,2-oxazole-5-carboxamide?
3-methyl-N-[3-(5-propanoyl-2-pyridin-2-ylbenzimidazol-1-yl)cyclohexyl]-1,2-oxazole-5-carboxamide has a molecular weight of 457.53 g/mol, XLogP of 4.90, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[3-(5-propanoyl-2-pyridin-2-ylbenzimidazol-1-yl)cyclohexyl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 167635051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).