N-[1-(1H-benzimidazol-2-yl)ethyl]-1-methylcyclopentane-1-carboxamide

C16H21N3O — CID 78925715

IUPACN-[1-(1H-benzimidazol-2-yl)ethyl]-1-methylcyclopentane-1-carboxamide
SMILESCC(NC(=O)C1(C)CCCC1)c1nc2ccccc2[nH]1
InChIInChI=1S/C16H21N3O/c1-11(17-15(20)16(2)9-5-6-10-16)14-18-12-7-3-4-8-13(12)19-14/h3-4,7-8,11H,5-6,9-10H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyXDYSSNJZAAAPNC-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.32
Rot. Bonds3

About N-[1-(1H-benzimidazol-2-yl)ethyl]-1-methylcyclopentane-1-carboxamide

N-[1-(1H-benzimidazol-2-yl)ethyl]-1-methylcyclopentane-1-carboxamide (PubChem CID 78925715) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is N-[1-(1H-benzimidazol-2-yl)ethyl]-1-methylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[1-(1H-benzimidazol-2-yl)ethyl]-1-methylcyclopentane-1-carboxamide
PubChem CID78925715
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC NameN-[1-(1H-benzimidazol-2-yl)ethyl]-1-methylcyclopentane-1-carboxamide
SMILESCC(NC(=O)C1(C)CCCC1)c1nc2ccccc2[nH]1
InChIInChI=1S/C16H21N3O/c1-11(17-15(20)16(2)9-5-6-10-16)14-18-12-7-3-4-8-13(12)19-14/h3-4,7-8,11H,5-6,9-10H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyXDYSSNJZAAAPNC-UHFFFAOYSA-N
XLogP3.32
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide
CID 2328668
1-[1-(1H-benzimidazol-2-yl)ethyl]-3-propan-2-ylurea
CID 23548549
N-[1-(1H-benzimidazol-2-yl)ethyl]-1-(2-methoxyphenyl)cyclopropane-1-carboxamide
CID 110437986
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-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-2,2-dimethylpropanamide
CID 751239
N-[1-(1H-benzimidazol-2-yl)ethyl]-2-methoxyacetamide
CID 3237629
propan-2-yl N-[1-(1H-benzimidazol-2-yl)ethyl]carbamate
CID 62668799
2-amino-N-[1-(1H-benzimidazol-2-yl)ethyl]-2-methylpropanamide
CID 110460891
N-[1-(1H-benzimidazol-2-yl)ethyl]-2,2-dimethylcyclohexan-1-amine
CID 79836434

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-benzimidazol-2-yl)ethyl]-1-methylcyclopentane-1-carboxamide?
The IUPAC name of N-[1-(1H-benzimidazol-2-yl)ethyl]-1-methylcyclopentane-1-carboxamide (CID 78925715) is N-[1-(1H-benzimidazol-2-yl)ethyl]-1-methylcyclopentane-1-carboxamide.
What is the SMILES notation for N-[1-(1H-benzimidazol-2-yl)ethyl]-1-methylcyclopentane-1-carboxamide?
The canonical SMILES for N-[1-(1H-benzimidazol-2-yl)ethyl]-1-methylcyclopentane-1-carboxamide is CC(NC(=O)C1(C)CCCC1)c1nc2ccccc2[nH]1.
What is the InChIKey of N-[1-(1H-benzimidazol-2-yl)ethyl]-1-methylcyclopentane-1-carboxamide?
The InChIKey is XDYSSNJZAAAPNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-11(17-15(20)16(2)9-5-6-10-16)14-18-12-7-3-4-8-13(12)19-14/h3-4,7-8,11H,5-6,9-10H2,1-2H3,(H,17,20)(H,18,19).
What are the key properties of N-[1-(1H-benzimidazol-2-yl)ethyl]-1-methylcyclopentane-1-carboxamide?
N-[1-(1H-benzimidazol-2-yl)ethyl]-1-methylcyclopentane-1-carboxamide has a molecular weight of 271.36 g/mol, XLogP of 3.32, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-benzimidazol-2-yl)ethyl]-1-methylcyclopentane-1-carboxamide is sourced from PubChem (CID 78925715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).