N-[2-(aminomethyl)cyclopentyl]-3-(1-phenylbenzimidazol-2-yl)propanamide

C22H26N4O — CID 119600528

IUPACN-[2-(aminomethyl)cyclopentyl]-3-(1-phenylbenzimidazol-2-yl)propanamide
SMILESNCC1CCCC1NC(=O)CCc1nc2ccccc2n1-c1ccccc1
InChIInChI=1S/C22H26N4O/c23-15-16-7-6-11-18(16)25-22(27)14-13-21-24-19-10-4-5-12-20(19)26(21)17-8-2-1-3-9-17/h1-5,8-10,12,16,18H,6-7,11,13-15,23H2,(H,25,27)
InChIKeyWOQBMVMHBUNIED-UHFFFAOYSA-N
MW362.48 g/mol
LogP3.20
Rot. Bonds6

About N-[2-(aminomethyl)cyclopentyl]-3-(1-phenylbenzimidazol-2-yl)propanamide

N-[2-(aminomethyl)cyclopentyl]-3-(1-phenylbenzimidazol-2-yl)propanamide (PubChem CID 119600528) has the molecular formula C22H26N4O and a molecular weight of 362.48 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-3-(1-phenylbenzimidazol-2-yl)propanamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-3-(1-phenylbenzimidazol-2-yl)propanamide
PubChem CID119600528
Molecular FormulaC22H26N4O
Molecular Weight362.48 g/mol
Exact Mass362.21
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-3-(1-phenylbenzimidazol-2-yl)propanamide
SMILESNCC1CCCC1NC(=O)CCc1nc2ccccc2n1-c1ccccc1
InChIInChI=1S/C22H26N4O/c23-15-16-7-6-11-18(16)25-22(27)14-13-21-24-19-10-4-5-12-20(19)26(21)17-8-2-1-3-9-17/h1-5,8-10,12,16,18H,6-7,11,13-15,23H2,(H,25,27)
InChIKeyWOQBMVMHBUNIED-UHFFFAOYSA-N
XLogP3.20
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R,2R)-2-methylcyclohexyl]-3-(1-phenylbenzimidazol-2-yl)propanamide
CID 40633314
N-(2-oxoazepan-3-yl)-3-(1-phenylbenzimidazol-2-yl)propanamide
CID 55858033
1-[2-(aminomethyl)pyrrolidin-1-yl]-3-(1-phenylbenzimidazol-2-yl)propan-1-one;hydrochloride
CID 119630899
3-(1-phenylbenzimidazol-2-yl)-N-(piperidin-3-ylmethyl)propanamide
CID 119459811
3-[3-(1-phenylbenzimidazol-2-yl)propanoylamino]butanoic acid
CID 119221124
N-(3-hydroxypropyl)-3-(1-phenylbenzimidazol-2-yl)propanamide
CID 78796237
(3R)-1-[3-(1-phenylbenzimidazol-2-yl)propanoyl]piperidine-3-carboxylic acid
CID 129382470
(3R)-1-[3-(1-phenylbenzimidazol-2-yl)propanoyl]pyrrolidine-3-carboxylic acid
CID 125134380
N-cyclohexyl-3-(3-phenylimidazo[4,5-b]pyridin-2-yl)propanamide
CID 20867515
N-(3-aminobutyl)-3-(1-phenylbenzimidazol-2-yl)propanamide;hydrochloride
CID 119494794
N-[3-[[3-(1-phenylbenzimidazol-2-yl)propanoylamino]methyl]phenyl]cyclobutanecarboxamide
CID 55632069
N-hydroxy-2-(1-phenylbenzimidazol-2-yl)acetamide
CID 3049623

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-3-(1-phenylbenzimidazol-2-yl)propanamide?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-3-(1-phenylbenzimidazol-2-yl)propanamide (CID 119600528) is N-[2-(aminomethyl)cyclopentyl]-3-(1-phenylbenzimidazol-2-yl)propanamide.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-3-(1-phenylbenzimidazol-2-yl)propanamide?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-3-(1-phenylbenzimidazol-2-yl)propanamide is NCC1CCCC1NC(=O)CCc1nc2ccccc2n1-c1ccccc1.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-3-(1-phenylbenzimidazol-2-yl)propanamide?
The InChIKey is WOQBMVMHBUNIED-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O/c23-15-16-7-6-11-18(16)25-22(27)14-13-21-24-19-10-4-5-12-20(19)26(21)17-8-2-1-3-9-17/h1-5,8-10,12,16,18H,6-7,11,13-15,23H2,(H,25,27).
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-3-(1-phenylbenzimidazol-2-yl)propanamide?
N-[2-(aminomethyl)cyclopentyl]-3-(1-phenylbenzimidazol-2-yl)propanamide has a molecular weight of 362.48 g/mol, XLogP of 3.20, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclopentyl]-3-(1-phenylbenzimidazol-2-yl)propanamide is sourced from PubChem (CID 119600528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).