N-[2-(1H-benzimidazol-2-yl)ethyl]-1-(3-fluorophenyl)cyclopentane-1-carboxamide

C21H22FN3O — CID 37316419

IUPACN-[2-(1H-benzimidazol-2-yl)ethyl]-1-(3-fluorophenyl)cyclopentane-1-carboxamide
SMILESO=C(NCCc1nc2ccccc2[nH]1)C1(c2cccc(F)c2)CCCC1
InChIInChI=1S/C21H22FN3O/c22-16-7-5-6-15(14-16)21(11-3-4-12-21)20(26)23-13-10-19-24-17-8-1-2-9-18(17)25-19/h1-2,5-9,14H,3-4,10-13H2,(H,23,26)(H,24,25)
InChIKeyUNHXSNMYMWGRPM-UHFFFAOYSA-N
MW351.43 g/mol
LogP3.87
Rot. Bonds5

About N-[2-(1H-benzimidazol-2-yl)ethyl]-1-(3-fluorophenyl)cyclopentane-1-carboxamide

N-[2-(1H-benzimidazol-2-yl)ethyl]-1-(3-fluorophenyl)cyclopentane-1-carboxamide (PubChem CID 37316419) has the molecular formula C21H22FN3O and a molecular weight of 351.43 g/mol. Its IUPAC name is N-[2-(1H-benzimidazol-2-yl)ethyl]-1-(3-fluorophenyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-benzimidazol-2-yl)ethyl]-1-(3-fluorophenyl)cyclopentane-1-carboxamide
PubChem CID37316419
Molecular FormulaC21H22FN3O
Molecular Weight351.43 g/mol
Exact Mass351.17
IUPAC NameN-[2-(1H-benzimidazol-2-yl)ethyl]-1-(3-fluorophenyl)cyclopentane-1-carboxamide
SMILESO=C(NCCc1nc2ccccc2[nH]1)C1(c2cccc(F)c2)CCCC1
InChIInChI=1S/C21H22FN3O/c22-16-7-5-6-15(14-16)21(11-3-4-12-21)20(26)23-13-10-19-24-17-8-1-2-9-18(17)25-19/h1-2,5-9,14H,3-4,10-13H2,(H,23,26)(H,24,25)
InChIKeyUNHXSNMYMWGRPM-UHFFFAOYSA-N
XLogP3.87
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1H-benzimidazol-2-yl)-N-[[1-(3-fluorophenyl)cyclopentyl]methyl]propanamide
CID 118760643
N-[2-(1H-benzimidazol-2-yl)ethyl]-4-(4-methoxyphenyl)oxane-4-carboxamide
CID 47880329
N-[3-(1H-benzimidazol-2-yl)propyl]-1-methyl-4-phenylpiperidine-4-carboxamide
CID 118768183
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetamide
CID 34256999
1-(3-fluorophenyl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]cyclobutane-1-carboxamide
CID 34001762
1-[3-(1H-benzimidazol-2-yl)propyl]-3-[[1-(3-fluorophenyl)cyclopropyl]methyl]-2-methylguanidine
CID 111638390
N-(2-ethoxyethyl)-1-(3-fluorophenyl)cyclopentane-1-carboxamide
CID 60557792
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-fluorophenyl)acetamide
CID 5297042
(4S)-N-[2-(1H-benzimidazol-2-yl)ethyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 51513570
1-amino-N-[3-(1H-benzimidazol-2-yl)propyl]cyclopropane-1-carboxamide;dihydrochloride
CID 119838245
1-(3-fluorophenyl)-N-[(1-hydroxycyclobutyl)methyl]cyclohexane-1-carboxamide
CID 111445692
N-[2-(1H-benzimidazol-2-yl)ethyl]-2,2-difluoro-2-(4-fluorophenyl)acetamide
CID 48592900

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-benzimidazol-2-yl)ethyl]-1-(3-fluorophenyl)cyclopentane-1-carboxamide?
The IUPAC name of N-[2-(1H-benzimidazol-2-yl)ethyl]-1-(3-fluorophenyl)cyclopentane-1-carboxamide (CID 37316419) is N-[2-(1H-benzimidazol-2-yl)ethyl]-1-(3-fluorophenyl)cyclopentane-1-carboxamide.
What is the SMILES notation for N-[2-(1H-benzimidazol-2-yl)ethyl]-1-(3-fluorophenyl)cyclopentane-1-carboxamide?
The canonical SMILES for N-[2-(1H-benzimidazol-2-yl)ethyl]-1-(3-fluorophenyl)cyclopentane-1-carboxamide is O=C(NCCc1nc2ccccc2[nH]1)C1(c2cccc(F)c2)CCCC1.
What is the InChIKey of N-[2-(1H-benzimidazol-2-yl)ethyl]-1-(3-fluorophenyl)cyclopentane-1-carboxamide?
The InChIKey is UNHXSNMYMWGRPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O/c22-16-7-5-6-15(14-16)21(11-3-4-12-21)20(26)23-13-10-19-24-17-8-1-2-9-18(17)25-19/h1-2,5-9,14H,3-4,10-13H2,(H,23,26)(H,24,25).
What are the key properties of N-[2-(1H-benzimidazol-2-yl)ethyl]-1-(3-fluorophenyl)cyclopentane-1-carboxamide?
N-[2-(1H-benzimidazol-2-yl)ethyl]-1-(3-fluorophenyl)cyclopentane-1-carboxamide has a molecular weight of 351.43 g/mol, XLogP of 3.87, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-benzimidazol-2-yl)ethyl]-1-(3-fluorophenyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 37316419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).