N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide

C21H22FN3O — CID 2328668

IUPACN-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide
SMILESC[C@@H](NC(=O)C1(c2ccc(F)cc2)CCCC1)c1nc2ccccc2[nH]1
InChIInChI=1S/C21H22FN3O/c1-14(19-24-17-6-2-3-7-18(17)25-19)23-20(26)21(12-4-5-13-21)15-8-10-16(22)11-9-15/h2-3,6-11,14H,4-5,12-13H2,1H3,(H,23,26)(H,24,25)/t14-/m1/s1
InChIKeyMNDRDBZSJMVGDB-CQSZACIVSA-N
MW351.43 g/mol
LogP4.39
Rot. Bonds4

About N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide

N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide (PubChem CID 2328668) has the molecular formula C21H22FN3O and a molecular weight of 351.43 g/mol. Its IUPAC name is N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide
PubChem CID2328668
Molecular FormulaC21H22FN3O
Molecular Weight351.43 g/mol
Exact Mass351.17
IUPAC NameN-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide
SMILESC[C@@H](NC(=O)C1(c2ccc(F)cc2)CCCC1)c1nc2ccccc2[nH]1
InChIInChI=1S/C21H22FN3O/c1-14(19-24-17-6-2-3-7-18(17)25-19)23-20(26)21(12-4-5-13-21)15-8-10-16(22)11-9-15/h2-3,6-11,14H,4-5,12-13H2,1H3,(H,23,26)(H,24,25)/t14-/m1/s1
InChIKeyMNDRDBZSJMVGDB-CQSZACIVSA-N
XLogP4.39
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(1H-benzimidazol-2-yl)ethyl]-1-methylcyclopentane-1-carboxamide
CID 78925715
N-[1-(1H-benzimidazol-2-yl)ethyl]-1-(2-methoxyphenyl)cyclopropane-1-carboxamide
CID 110437986
1-[1-(1H-benzimidazol-2-yl)ethyl]-3-propan-2-ylurea
CID 23548549
N-[1-(1H-benzimidazol-2-yl)ethyl]acetamide
CID 3149717
N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-2-methylpropanamide
CID 7060732
1-[1-(1H-benzimidazol-2-yl)ethylcarbamoylamino]cycloheptane-1-carboxamide
CID 119060351
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]propanamide
CID 751231
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-fluorobenzamide
CID 18116392
N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-2,2-dimethylpropanamide
CID 751239
N-[1-(1H-benzimidazol-2-yl)ethyl]-1-[2-(4-fluorophenyl)acetyl]azetidine-3-carboxamide
CID 110246361
N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-1-[2-(4-fluorophenyl)acetyl]azetidine-3-carboxamide
CID 92633122
N-[1-(1H-benzimidazol-2-yl)ethyl]-2-methoxyacetamide
CID 3237629

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide?
The IUPAC name of N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide (CID 2328668) is N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide.
What is the SMILES notation for N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide?
The canonical SMILES for N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide is C[C@@H](NC(=O)C1(c2ccc(F)cc2)CCCC1)c1nc2ccccc2[nH]1.
What is the InChIKey of N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide?
The InChIKey is MNDRDBZSJMVGDB-CQSZACIVSA-N. The full InChI is InChI=1S/C21H22FN3O/c1-14(19-24-17-6-2-3-7-18(17)25-19)23-20(26)21(12-4-5-13-21)15-8-10-16(22)11-9-15/h2-3,6-11,14H,4-5,12-13H2,1H3,(H,23,26)(H,24,25)/t14-/m1/s1.
What are the key properties of N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide?
N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide has a molecular weight of 351.43 g/mol, XLogP of 4.39, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 2328668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).