N-[(4-methoxyphenyl)methyl]-2-(2-methylbenzimidazol-1-yl)-N-(1-methylpiperidin-4-yl)propanamide

C25H32N4O2 — CID 46970183

IUPACN-[(4-methoxyphenyl)methyl]-2-(2-methylbenzimidazol-1-yl)-N-(1-methylpiperidin-4-yl)propanamide
SMILESCOc1ccc(CN(C(=O)C(C)n2c(C)nc3ccccc32)C2CCN(C)CC2)cc1
InChIInChI=1S/C25H32N4O2/c1-18(29-19(2)26-23-7-5-6-8-24(23)29)25(30)28(21-13-15-27(3)16-14-21)17-20-9-11-22(31-4)12-10-20/h5-12,18,21H,13-17H2,1-4H3
InChIKeyFQVHERRCAXZDFI-UHFFFAOYSA-N
MW420.56 g/mol
LogP4.04
Rot. Bonds6

About N-[(4-methoxyphenyl)methyl]-2-(2-methylbenzimidazol-1-yl)-N-(1-methylpiperidin-4-yl)propanamide

N-[(4-methoxyphenyl)methyl]-2-(2-methylbenzimidazol-1-yl)-N-(1-methylpiperidin-4-yl)propanamide (PubChem CID 46970183) has the molecular formula C25H32N4O2 and a molecular weight of 420.56 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-2-(2-methylbenzimidazol-1-yl)-N-(1-methylpiperidin-4-yl)propanamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-2-(2-methylbenzimidazol-1-yl)-N-(1-methylpiperidin-4-yl)propanamide
PubChem CID46970183
Molecular FormulaC25H32N4O2
Molecular Weight420.56 g/mol
Exact Mass420.25
IUPAC NameN-[(4-methoxyphenyl)methyl]-2-(2-methylbenzimidazol-1-yl)-N-(1-methylpiperidin-4-yl)propanamide
SMILESCOc1ccc(CN(C(=O)C(C)n2c(C)nc3ccccc32)C2CCN(C)CC2)cc1
InChIInChI=1S/C25H32N4O2/c1-18(29-19(2)26-23-7-5-6-8-24(23)29)25(30)28(21-13-15-27(3)16-14-21)17-20-9-11-22(31-4)12-10-20/h5-12,18,21H,13-17H2,1-4H3
InChIKeyFQVHERRCAXZDFI-UHFFFAOYSA-N
XLogP4.04
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.56
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-2-(1,3-dioxoisoindol-2-yl)-N-[(4-methoxyphenyl)methyl]propanamide
CID 51206691
2-(2-methylbenzimidazol-1-yl)propanoic acid
CID 5236849
N-benzyl-N-cyclohexyl-2-[2-[(4-methoxyphenyl)methyl]benzimidazol-1-yl]acetamide
CID 16995967
3-cyclopropyl-1-[(4-methoxyphenyl)methyl]-1-(1-methylpiperidin-4-yl)thiourea
CID 4085940
N-[[1-(difluoromethyl)benzimidazol-2-yl]methyl]-N-[(4-methoxyphenyl)methyl]-1,1-dioxothiolan-3-amine
CID 78833868
(4-methoxyphenyl)methyl 2-methylbenzimidazole-1-carboxylate
CID 67949207
5-(1,5-dimethylpyrazol-4-yl)-N-[(4-methoxyphenyl)methyl]-N-(1-methylpiperidin-4-yl)-1,2-oxazole-3-carboxamide
CID 46968967
N-[(4-methoxyphenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]butanamide
CID 164851926
(2S)-2-(2-methylbenzimidazol-1-yl)-1-[(2R)-4-methyl-2-phenylpiperazin-1-yl]propan-1-one
CID 124813712
methyl 2-(2-methylbenzimidazol-1-yl)butanoate
CID 4000704
N-(1,1-dioxothiolan-3-yl)-2-(2-methoxyphenoxy)-N-[(4-methoxyphenyl)methyl]propanamide
CID 3344644
3-(3,5-dimethylphenyl)-1-[(4-methoxyphenyl)methyl]-1-(1-methylpiperidin-4-yl)thiourea
CID 4105353

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-2-(2-methylbenzimidazol-1-yl)-N-(1-methylpiperidin-4-yl)propanamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-2-(2-methylbenzimidazol-1-yl)-N-(1-methylpiperidin-4-yl)propanamide (CID 46970183) is N-[(4-methoxyphenyl)methyl]-2-(2-methylbenzimidazol-1-yl)-N-(1-methylpiperidin-4-yl)propanamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-2-(2-methylbenzimidazol-1-yl)-N-(1-methylpiperidin-4-yl)propanamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-2-(2-methylbenzimidazol-1-yl)-N-(1-methylpiperidin-4-yl)propanamide is COc1ccc(CN(C(=O)C(C)n2c(C)nc3ccccc32)C2CCN(C)CC2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-2-(2-methylbenzimidazol-1-yl)-N-(1-methylpiperidin-4-yl)propanamide?
The InChIKey is FQVHERRCAXZDFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O2/c1-18(29-19(2)26-23-7-5-6-8-24(23)29)25(30)28(21-13-15-27(3)16-14-21)17-20-9-11-22(31-4)12-10-20/h5-12,18,21H,13-17H2,1-4H3.
What are the key properties of N-[(4-methoxyphenyl)methyl]-2-(2-methylbenzimidazol-1-yl)-N-(1-methylpiperidin-4-yl)propanamide?
N-[(4-methoxyphenyl)methyl]-2-(2-methylbenzimidazol-1-yl)-N-(1-methylpiperidin-4-yl)propanamide has a molecular weight of 420.56 g/mol, XLogP of 4.04, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-2-(2-methylbenzimidazol-1-yl)-N-(1-methylpiperidin-4-yl)propanamide is sourced from PubChem (CID 46970183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).