2-cyclopentyl-N-[(S)-(1-methylbenzimidazol-2-yl)-phenylmethyl]acetamide

C22H25N3O — CID 52535851

IUPAC2-cyclopentyl-N-[(S)-(1-methylbenzimidazol-2-yl)-phenylmethyl]acetamide
SMILESCn1c([C@@H](NC(=O)CC2CCCC2)c2ccccc2)nc2ccccc21
InChIInChI=1S/C22H25N3O/c1-25-19-14-8-7-13-18(19)23-22(25)21(17-11-3-2-4-12-17)24-20(26)15-16-9-5-6-10-16/h2-4,7-8,11-14,16,21H,5-6,9-10,15H2,1H3,(H,24,26)/t21-/m0/s1
InChIKeyDUCXMZLSWXLDTE-NRFANRHFSA-N
MW347.46 g/mol
LogP4.36
Rot. Bonds5

About 2-cyclopentyl-N-[(S)-(1-methylbenzimidazol-2-yl)-phenylmethyl]acetamide

2-cyclopentyl-N-[(S)-(1-methylbenzimidazol-2-yl)-phenylmethyl]acetamide (PubChem CID 52535851) has the molecular formula C22H25N3O and a molecular weight of 347.46 g/mol. Its IUPAC name is 2-cyclopentyl-N-[(S)-(1-methylbenzimidazol-2-yl)-phenylmethyl]acetamide.

Molecular Properties

Compound Name2-cyclopentyl-N-[(S)-(1-methylbenzimidazol-2-yl)-phenylmethyl]acetamide
PubChem CID52535851
Molecular FormulaC22H25N3O
Molecular Weight347.46 g/mol
Exact Mass347.20
IUPAC Name2-cyclopentyl-N-[(S)-(1-methylbenzimidazol-2-yl)-phenylmethyl]acetamide
SMILESCn1c([C@@H](NC(=O)CC2CCCC2)c2ccccc2)nc2ccccc21
InChIInChI=1S/C22H25N3O/c1-25-19-14-8-7-13-18(19)23-22(25)21(17-11-3-2-4-12-17)24-20(26)15-16-9-5-6-10-16/h2-4,7-8,11-14,16,21H,5-6,9-10,15H2,1H3,(H,24,26)/t21-/m0/s1
InChIKeyDUCXMZLSWXLDTE-NRFANRHFSA-N
XLogP4.36
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(R)-(1-methylbenzimidazol-2-yl)-phenylmethyl]-2-[(2R)-oxolan-2-yl]acetamide
CID 94821546
2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[(S)-(1-methylbenzimidazol-2-yl)-phenylmethyl]acetamide
CID 98727973
7-amino-N-[(1-methylbenzimidazol-2-yl)-phenylmethyl]heptanamide
CID 119863894
2-amino-N-[(1-methylbenzimidazol-2-yl)-phenylmethyl]pentanamide;dihydrochloride
CID 119863897
1-methoxy-3-[(1-methylbenzimidazol-2-yl)-phenylmethyl]urea
CID 86816785
N-cyclopentyl-2-[1-(1-methylbenzimidazol-2-yl)piperidin-4-yl]acetamide
CID 171994814
2-cyclopentyl-N-[(4-methoxyphenyl)-phenylmethyl]acetamide
CID 18166406
N-[(1-methylbenzimidazol-2-yl)-phenylmethyl]-N',N'-dipropylpentanediamide
CID 56540206
N-methyl-1-(1-methylbenzimidazol-2-yl)-1-phenylmethanamine
CID 3009976
methyl 2-[[(R)-(1-methylbenzimidazol-2-yl)-phenylmethyl]amino]acetate
CID 99613603
2-cyclohexyl-N-[phenyl(thiophen-2-yl)methyl]acetamide
CID 46565052
N-[(S)-(1-methylbenzimidazol-2-yl)-phenylmethyl]thiadiazole-5-carboxamide
CID 95234713

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-[(S)-(1-methylbenzimidazol-2-yl)-phenylmethyl]acetamide?
The IUPAC name of 2-cyclopentyl-N-[(S)-(1-methylbenzimidazol-2-yl)-phenylmethyl]acetamide (CID 52535851) is 2-cyclopentyl-N-[(S)-(1-methylbenzimidazol-2-yl)-phenylmethyl]acetamide.
What is the SMILES notation for 2-cyclopentyl-N-[(S)-(1-methylbenzimidazol-2-yl)-phenylmethyl]acetamide?
The canonical SMILES for 2-cyclopentyl-N-[(S)-(1-methylbenzimidazol-2-yl)-phenylmethyl]acetamide is Cn1c([C@@H](NC(=O)CC2CCCC2)c2ccccc2)nc2ccccc21.
What is the InChIKey of 2-cyclopentyl-N-[(S)-(1-methylbenzimidazol-2-yl)-phenylmethyl]acetamide?
The InChIKey is DUCXMZLSWXLDTE-NRFANRHFSA-N. The full InChI is InChI=1S/C22H25N3O/c1-25-19-14-8-7-13-18(19)23-22(25)21(17-11-3-2-4-12-17)24-20(26)15-16-9-5-6-10-16/h2-4,7-8,11-14,16,21H,5-6,9-10,15H2,1H3,(H,24,26)/t21-/m0/s1.
What are the key properties of 2-cyclopentyl-N-[(S)-(1-methylbenzimidazol-2-yl)-phenylmethyl]acetamide?
2-cyclopentyl-N-[(S)-(1-methylbenzimidazol-2-yl)-phenylmethyl]acetamide has a molecular weight of 347.46 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-[(S)-(1-methylbenzimidazol-2-yl)-phenylmethyl]acetamide is sourced from PubChem (CID 52535851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).