N-[(1-ethylbenzimidazol-2-yl)methyl]-1-(3-methylcyclopentyl)methanamine

C17H25N3 — CID 107411845

IUPACN-[(1-ethylbenzimidazol-2-yl)methyl]-1-(3-methylcyclopentyl)methanamine
SMILESCCn1c(CNCC2CCC(C)C2)nc2ccccc21
InChIInChI=1S/C17H25N3/c1-3-20-16-7-5-4-6-15(16)19-17(20)12-18-11-14-9-8-13(2)10-14/h4-7,13-14,18H,3,8-12H2,1-2H3
InChIKeyFVUXBECGFILODJ-UHFFFAOYSA-N
MW271.41 g/mol
LogP3.58
Rot. Bonds5

About N-[(1-ethylbenzimidazol-2-yl)methyl]-1-(3-methylcyclopentyl)methanamine

N-[(1-ethylbenzimidazol-2-yl)methyl]-1-(3-methylcyclopentyl)methanamine (PubChem CID 107411845) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is N-[(1-ethylbenzimidazol-2-yl)methyl]-1-(3-methylcyclopentyl)methanamine.

Molecular Properties

Compound NameN-[(1-ethylbenzimidazol-2-yl)methyl]-1-(3-methylcyclopentyl)methanamine
PubChem CID107411845
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC NameN-[(1-ethylbenzimidazol-2-yl)methyl]-1-(3-methylcyclopentyl)methanamine
SMILESCCn1c(CNCC2CCC(C)C2)nc2ccccc21
InChIInChI=1S/C17H25N3/c1-3-20-16-7-5-4-6-15(16)19-17(20)12-18-11-14-9-8-13(2)10-14/h4-7,13-14,18H,3,8-12H2,1-2H3
InChIKeyFVUXBECGFILODJ-UHFFFAOYSA-N
XLogP3.58
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-N-[(1-ethylbenzimidazol-2-yl)methyl]methanamine
CID 43655424
N-[(1-ethylbenzimidazol-2-yl)methyl]-2,4-dimethylcyclohexan-1-amine
CID 63993863
1-(2-bicyclo[2.2.1]heptanyl)-N-[(1-ethylbenzimidazol-2-yl)methyl]methanamine
CID 62734834
N-[(1-ethylbenzimidazol-2-yl)methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 93418668
3-[(1-ethylbenzimidazol-2-yl)methyl]cyclopentan-1-ol
CID 79750884
1-(1,1-dioxothiolan-2-yl)-N-[(1-ethylbenzimidazol-2-yl)methyl]methanamine
CID 81043351
3-methyl-N-[(1-propylbenzimidazol-2-yl)methyl]cyclopentan-1-amine
CID 114544004
N-[(1-ethylbenzimidazol-2-yl)methyl]cyclopropanecarboxamide
CID 16969775
2-[(1-ethylbenzimidazol-2-yl)methylamino]-N-methylacetamide
CID 60673139
1-ethyl-2-[(5-methylpiperidin-3-yl)methyl]benzimidazole
CID 106780313
2-(1-ethylbenzimidazol-2-yl)-1-(3-methylcyclohexyl)ethanol
CID 79755078
1-[(1-ethylbenzimidazol-2-yl)methyl]-2,4-dimethylcyclohexan-1-amine
CID 79755493

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylbenzimidazol-2-yl)methyl]-1-(3-methylcyclopentyl)methanamine?
The IUPAC name of N-[(1-ethylbenzimidazol-2-yl)methyl]-1-(3-methylcyclopentyl)methanamine (CID 107411845) is N-[(1-ethylbenzimidazol-2-yl)methyl]-1-(3-methylcyclopentyl)methanamine.
What is the SMILES notation for N-[(1-ethylbenzimidazol-2-yl)methyl]-1-(3-methylcyclopentyl)methanamine?
The canonical SMILES for N-[(1-ethylbenzimidazol-2-yl)methyl]-1-(3-methylcyclopentyl)methanamine is CCn1c(CNCC2CCC(C)C2)nc2ccccc21.
What is the InChIKey of N-[(1-ethylbenzimidazol-2-yl)methyl]-1-(3-methylcyclopentyl)methanamine?
The InChIKey is FVUXBECGFILODJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-3-20-16-7-5-4-6-15(16)19-17(20)12-18-11-14-9-8-13(2)10-14/h4-7,13-14,18H,3,8-12H2,1-2H3.
What are the key properties of N-[(1-ethylbenzimidazol-2-yl)methyl]-1-(3-methylcyclopentyl)methanamine?
N-[(1-ethylbenzimidazol-2-yl)methyl]-1-(3-methylcyclopentyl)methanamine has a molecular weight of 271.41 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylbenzimidazol-2-yl)methyl]-1-(3-methylcyclopentyl)methanamine is sourced from PubChem (CID 107411845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).