2-[2-[4-(hydroxymethyl)-1-methylcyclohexanecarbonyl]-6-methoxybenzimidazol-1-yl]-N-(3-methylbutyl)butanamide

C26H39N3O4 — CID 91343256

IUPAC2-[2-[4-(hydroxymethyl)-1-methylcyclohexanecarbonyl]-6-methoxybenzimidazol-1-yl]-N-(3-methylbutyl)butanamide
SMILESCCC(C(=O)NCCC(C)C)n1c(C(=O)C2(C)CCC(CO)CC2)nc2ccc(OC)cc21
InChIInChI=1S/C26H39N3O4/c1-6-21(25(32)27-14-11-17(2)3)29-22-15-19(33-5)7-8-20(22)28-24(29)23(31)26(4)12-9-18(16-30)10-13-26/h7-8,15,17-18,21,30H,6,9-14,16H2,1-5H3,(H,27,32)
InChIKeyLWOAZRQOHNJKTK-UHFFFAOYSA-N
MW457.62 g/mol
LogP4.53
Rot. Bonds10

About 2-[2-[4-(hydroxymethyl)-1-methylcyclohexanecarbonyl]-6-methoxybenzimidazol-1-yl]-N-(3-methylbutyl)butanamide

2-[2-[4-(hydroxymethyl)-1-methylcyclohexanecarbonyl]-6-methoxybenzimidazol-1-yl]-N-(3-methylbutyl)butanamide (PubChem CID 91343256) has the molecular formula C26H39N3O4 and a molecular weight of 457.62 g/mol. Its IUPAC name is 2-[2-[4-(hydroxymethyl)-1-methylcyclohexanecarbonyl]-6-methoxybenzimidazol-1-yl]-N-(3-methylbutyl)butanamide.

Molecular Properties

Compound Name2-[2-[4-(hydroxymethyl)-1-methylcyclohexanecarbonyl]-6-methoxybenzimidazol-1-yl]-N-(3-methylbutyl)butanamide
PubChem CID91343256
Molecular FormulaC26H39N3O4
Molecular Weight457.62 g/mol
Exact Mass457.29
IUPAC Name2-[2-[4-(hydroxymethyl)-1-methylcyclohexanecarbonyl]-6-methoxybenzimidazol-1-yl]-N-(3-methylbutyl)butanamide
SMILESCCC(C(=O)NCCC(C)C)n1c(C(=O)C2(C)CCC(CO)CC2)nc2ccc(OC)cc21
InChIInChI=1S/C26H39N3O4/c1-6-21(25(32)27-14-11-17(2)3)29-22-15-19(33-5)7-8-20(22)28-24(29)23(31)26(4)12-9-18(16-30)10-13-26/h7-8,15,17-18,21,30H,6,9-14,16H2,1-5H3,(H,27,32)
InChIKeyLWOAZRQOHNJKTK-UHFFFAOYSA-N
XLogP4.53
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.62
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(cyclopropylmethyl)-2-[6-methoxy-2-(2-methylpropanoyl)benzimidazol-1-yl]pentanamide
CID 91603251
2-(2-benzoyl-6-methoxybenzimidazol-1-yl)-N-tert-butylbutanamide
CID 90871410
methyl 2-[2-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methylcyclohexanecarbonyl]-6-methoxybenzimidazol-1-yl]acetate
CID 58668472
2-[2-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methylcyclohexanecarbonyl]-6-methoxybenzimidazol-1-yl]acetic acid
CID 58668512
2-(4-methoxyphenoxy)-N-(3-methylbutyl)propanamide
CID 21173373
2-(4-methoxyphenoxy)-N-(3-methylbutyl)butanamide
CID 21367307
(2S)-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]-N-(3-methylbutyl)propanamide
CID 92503706
2-(3-methoxyphenoxy)-N-(3-methylbutyl)butanamide
CID 43909571
4-(hydroxymethyl)-N-[3-(4-methoxyphenyl)butyl]piperidine-1-carboxamide
CID 111507660
2-(4-methoxyphenyl)sulfanyl-N-(3-methylbutyl)propanamide
CID 132760074
1-(4-methoxybenzoyl)-N-(3-methylbutyl)piperidine-4-carboxamide
CID 113005518
N-(3,3-dimethylbutyl)-2-(2-methoxycarbazol-9-yl)butanamide
CID 91483085

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(hydroxymethyl)-1-methylcyclohexanecarbonyl]-6-methoxybenzimidazol-1-yl]-N-(3-methylbutyl)butanamide?
The IUPAC name of 2-[2-[4-(hydroxymethyl)-1-methylcyclohexanecarbonyl]-6-methoxybenzimidazol-1-yl]-N-(3-methylbutyl)butanamide (CID 91343256) is 2-[2-[4-(hydroxymethyl)-1-methylcyclohexanecarbonyl]-6-methoxybenzimidazol-1-yl]-N-(3-methylbutyl)butanamide.
What is the SMILES notation for 2-[2-[4-(hydroxymethyl)-1-methylcyclohexanecarbonyl]-6-methoxybenzimidazol-1-yl]-N-(3-methylbutyl)butanamide?
The canonical SMILES for 2-[2-[4-(hydroxymethyl)-1-methylcyclohexanecarbonyl]-6-methoxybenzimidazol-1-yl]-N-(3-methylbutyl)butanamide is CCC(C(=O)NCCC(C)C)n1c(C(=O)C2(C)CCC(CO)CC2)nc2ccc(OC)cc21.
What is the InChIKey of 2-[2-[4-(hydroxymethyl)-1-methylcyclohexanecarbonyl]-6-methoxybenzimidazol-1-yl]-N-(3-methylbutyl)butanamide?
The InChIKey is LWOAZRQOHNJKTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H39N3O4/c1-6-21(25(32)27-14-11-17(2)3)29-22-15-19(33-5)7-8-20(22)28-24(29)23(31)26(4)12-9-18(16-30)10-13-26/h7-8,15,17-18,21,30H,6,9-14,16H2,1-5H3,(H,27,32).
What are the key properties of 2-[2-[4-(hydroxymethyl)-1-methylcyclohexanecarbonyl]-6-methoxybenzimidazol-1-yl]-N-(3-methylbutyl)butanamide?
2-[2-[4-(hydroxymethyl)-1-methylcyclohexanecarbonyl]-6-methoxybenzimidazol-1-yl]-N-(3-methylbutyl)butanamide has a molecular weight of 457.62 g/mol, XLogP of 4.53, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(hydroxymethyl)-1-methylcyclohexanecarbonyl]-6-methoxybenzimidazol-1-yl]-N-(3-methylbutyl)butanamide is sourced from PubChem (CID 91343256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).