3-[1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-4-yl]-N-(3-methylphenyl)propanamide

C24H30N4O — CID 42519111

IUPAC3-[1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-4-yl]-N-(3-methylphenyl)propanamide
SMILESCc1cccc(NC(=O)CCC2CCN(Cc3nc4ccccc4n3C)CC2)c1
InChIInChI=1S/C24H30N4O/c1-18-6-5-7-20(16-18)25-24(29)11-10-19-12-14-28(15-13-19)17-23-26-21-8-3-4-9-22(21)27(23)2/h3-9,16,19H,10-15,17H2,1-2H3,(H,25,29)
InChIKeyHLYMFQIYGWKXPI-UHFFFAOYSA-N
MW390.53 g/mol
LogP4.51
Rot. Bonds6

About 3-[1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-4-yl]-N-(3-methylphenyl)propanamide

3-[1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-4-yl]-N-(3-methylphenyl)propanamide (PubChem CID 42519111) has the molecular formula C24H30N4O and a molecular weight of 390.53 g/mol. Its IUPAC name is 3-[1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-4-yl]-N-(3-methylphenyl)propanamide.

Molecular Properties

Compound Name3-[1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-4-yl]-N-(3-methylphenyl)propanamide
PubChem CID42519111
Molecular FormulaC24H30N4O
Molecular Weight390.53 g/mol
Exact Mass390.24
IUPAC Name3-[1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-4-yl]-N-(3-methylphenyl)propanamide
SMILESCc1cccc(NC(=O)CCC2CCN(Cc3nc4ccccc4n3C)CC2)c1
InChIInChI=1S/C24H30N4O/c1-18-6-5-7-20(16-18)25-24(29)11-10-19-12-14-28(15-13-19)17-23-26-21-8-3-4-9-22(21)27(23)2/h3-9,16,19H,10-15,17H2,1-2H3,(H,25,29)
InChIKeyHLYMFQIYGWKXPI-UHFFFAOYSA-N
XLogP4.51
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)propanamide
CID 42288785
1-[(1-methylbenzimidazol-2-yl)methyl]-N-pyridin-4-ylpiperidine-4-carboxamide
CID 124814493
N-(3-methylphenyl)-3-[4-(quinolin-2-ylmethyl)piperazin-1-yl]propanamide
CID 118614406
1-[(1-methylbenzimidazol-2-yl)methyl]-N-[3-(1H-pyrazol-5-yl)phenyl]piperidine-4-carboxamide
CID 29211136
1-methyl-2-[(4-methylpiperidin-1-yl)methyl]benzimidazole
CID 6491167
(3R)-1-[(1-methylbenzimidazol-2-yl)methyl]-N-phenylpiperidine-3-carboxamide
CID 124590860
3-[1-[2-[(3R)-3-hydroxypiperidin-1-yl]acetyl]piperidin-4-yl]-N-(3-methylphenyl)propanamide
CID 97271131
N-(3-methylphenyl)-3-[1-(quinoline-6-carbonyl)piperidin-4-yl]propanamide
CID 25288635
N-(3-methoxyphenyl)-3-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]propanamide
CID 42099100
3-cyclohexyl-N'-[2-(1-methylbenzimidazol-2-yl)acetyl]propanehydrazide
CID 24634766
N-[2-[(4-ethylpiperazin-1-yl)methyl]-1-methylbenzimidazol-5-yl]-3-methylbenzamide
CID 46263370
1-[(1-methylbenzimidazol-2-yl)methyl]-N-[2-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 124815123

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-4-yl]-N-(3-methylphenyl)propanamide?
The IUPAC name of 3-[1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-4-yl]-N-(3-methylphenyl)propanamide (CID 42519111) is 3-[1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-4-yl]-N-(3-methylphenyl)propanamide.
What is the SMILES notation for 3-[1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-4-yl]-N-(3-methylphenyl)propanamide?
The canonical SMILES for 3-[1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-4-yl]-N-(3-methylphenyl)propanamide is Cc1cccc(NC(=O)CCC2CCN(Cc3nc4ccccc4n3C)CC2)c1.
What is the InChIKey of 3-[1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-4-yl]-N-(3-methylphenyl)propanamide?
The InChIKey is HLYMFQIYGWKXPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O/c1-18-6-5-7-20(16-18)25-24(29)11-10-19-12-14-28(15-13-19)17-23-26-21-8-3-4-9-22(21)27(23)2/h3-9,16,19H,10-15,17H2,1-2H3,(H,25,29).
What are the key properties of 3-[1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-4-yl]-N-(3-methylphenyl)propanamide?
3-[1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-4-yl]-N-(3-methylphenyl)propanamide has a molecular weight of 390.53 g/mol, XLogP of 4.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-4-yl]-N-(3-methylphenyl)propanamide is sourced from PubChem (CID 42519111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).