N-(2-methylcyclohexyl)-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide

C18H25N3O2 — CID 18145024

IUPACN-(2-methylcyclohexyl)-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide
SMILESCC1CCCCC1NC(=O)CCn1c(=O)n(C)c2ccccc21
InChIInChI=1S/C18H25N3O2/c1-13-7-3-4-8-14(13)19-17(22)11-12-21-16-10-6-5-9-15(16)20(2)18(21)23/h5-6,9-10,13-14H,3-4,7-8,11-12H2,1-2H3,(H,19,22)
InChIKeyHINSIXIUPVXNPS-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.42
Rot. Bonds4

About N-(2-methylcyclohexyl)-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide

N-(2-methylcyclohexyl)-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide (PubChem CID 18145024) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is N-(2-methylcyclohexyl)-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(2-methylcyclohexyl)-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide
PubChem CID18145024
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC NameN-(2-methylcyclohexyl)-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide
SMILESCC1CCCCC1NC(=O)CCn1c(=O)n(C)c2ccccc21
InChIInChI=1S/C18H25N3O2/c1-13-7-3-4-8-14(13)19-17(22)11-12-21-16-10-6-5-9-15(16)20(2)18(21)23/h5-6,9-10,13-14H,3-4,7-8,11-12H2,1-2H3,(H,19,22)
InChIKeyHINSIXIUPVXNPS-UHFFFAOYSA-N
XLogP2.42
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(3-methylpiperidin-4-yl)propanamide
CID 120557615
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3-(2,4-dioxoquinazolin-1-yl)-N-[(1S,2S)-2-methylcyclohexyl]propanamide
CID 25394121
1-(2-methylcyclohexyl)-3-[[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]amino]thiourea
CID 55501458
3-(1,3-dioxoisoindol-2-yl)-N-[(1S,2S)-2-methylcyclohexyl]propanamide
CID 729676
3-(3-methyl-2-oxobenzimidazol-1-yl)-N-piperidin-4-ylpropanamide
CID 119388164
N-(6-azabicyclo[3.2.1]octan-2-yl)-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide
CID 167862287
3-(3-methyl-2-oxobenzimidazol-1-yl)-N-pyrrolidin-3-ylpropanamide;hydrochloride
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N-(3-methylpiperidin-4-yl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide;hydrochloride
CID 120554902
N-(2-adamantyl)-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide
CID 18138324
N-[(1S,2S)-2-methylcyclohexyl]-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide
CID 9273025
N-(2,3-dimethylcyclohexyl)-2-(1-methyl-2,4-dioxoquinazolin-3-yl)acetamide
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Frequently Asked Questions

What is the IUPAC name of N-(2-methylcyclohexyl)-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide?
The IUPAC name of N-(2-methylcyclohexyl)-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide (CID 18145024) is N-(2-methylcyclohexyl)-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide.
What is the SMILES notation for N-(2-methylcyclohexyl)-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide?
The canonical SMILES for N-(2-methylcyclohexyl)-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide is CC1CCCCC1NC(=O)CCn1c(=O)n(C)c2ccccc21.
What is the InChIKey of N-(2-methylcyclohexyl)-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide?
The InChIKey is HINSIXIUPVXNPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-13-7-3-4-8-14(13)19-17(22)11-12-21-16-10-6-5-9-15(16)20(2)18(21)23/h5-6,9-10,13-14H,3-4,7-8,11-12H2,1-2H3,(H,19,22).
What are the key properties of N-(2-methylcyclohexyl)-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide?
N-(2-methylcyclohexyl)-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide has a molecular weight of 315.42 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylcyclohexyl)-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide is sourced from PubChem (CID 18145024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).