[1-[(5-amino-2-ethylbenzimidazol-1-yl)methyl]cyclopentyl]methanol

C16H23N3O — CID 115363212

IUPAC[1-[(5-amino-2-ethylbenzimidazol-1-yl)methyl]cyclopentyl]methanol
SMILESCCc1nc2cc(N)ccc2n1CC1(CO)CCCC1
InChIInChI=1S/C16H23N3O/c1-2-15-18-13-9-12(17)5-6-14(13)19(15)10-16(11-20)7-3-4-8-16/h5-6,9,20H,2-4,7-8,10-11,17H2,1H3
InChIKeyACBCZOVEZWFNSX-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.73
Rot. Bonds4

About [1-[(5-amino-2-ethylbenzimidazol-1-yl)methyl]cyclopentyl]methanol

[1-[(5-amino-2-ethylbenzimidazol-1-yl)methyl]cyclopentyl]methanol (PubChem CID 115363212) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is [1-[(5-amino-2-ethylbenzimidazol-1-yl)methyl]cyclopentyl]methanol.

Molecular Properties

Compound Name[1-[(5-amino-2-ethylbenzimidazol-1-yl)methyl]cyclopentyl]methanol
PubChem CID115363212
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name[1-[(5-amino-2-ethylbenzimidazol-1-yl)methyl]cyclopentyl]methanol
SMILESCCc1nc2cc(N)ccc2n1CC1(CO)CCCC1
InChIInChI=1S/C16H23N3O/c1-2-15-18-13-9-12(17)5-6-14(13)19(15)10-16(11-20)7-3-4-8-16/h5-6,9,20H,2-4,7-8,10-11,17H2,1H3
InChIKeyACBCZOVEZWFNSX-UHFFFAOYSA-N
XLogP2.73
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[(5-amino-2-ethylbenzimidazol-1-yl)methyl]-2-ethylbutan-1-ol
CID 106254051
2-ethyl-1-(2-piperidin-1-ylethyl)benzimidazol-5-amine
CID 62507566
2-ethyl-1-[(4-ethylcyclohexyl)methyl]benzimidazol-5-amine
CID 63498106
4-(5-amino-2-ethylbenzimidazol-1-yl)butanamide
CID 62508369
2-ethyl-1-[(1-methylcyclopropyl)methyl]benzimidazole-5-carboxylic acid
CID 114101513
2-methyl-1-[(1-methylcyclopentyl)methyl]benzimidazol-5-amine
CID 63830322
1-[(2-methylthiolan-2-yl)methyl]-2-propylbenzimidazol-5-amine
CID 80724306
1-(2,2-dimethylcyclopentyl)-2-ethylbenzimidazol-5-amine
CID 79878884
2-ethyl-1-[2-(oxolan-2-yl)ethyl]benzimidazol-5-amine
CID 55080127
2-ethyl-1-(2-methyl-2-methylsulfonylpropyl)benzimidazol-5-amine
CID 79550091
2-ethyl-1-[(2-methylthiolan-2-yl)methyl]benzimidazole-5-carboxylic acid
CID 80723956
[5-amino-1-(2-methylpropyl)benzimidazol-2-yl]methanol
CID 62591105

Frequently Asked Questions

What is the IUPAC name of [1-[(5-amino-2-ethylbenzimidazol-1-yl)methyl]cyclopentyl]methanol?
The IUPAC name of [1-[(5-amino-2-ethylbenzimidazol-1-yl)methyl]cyclopentyl]methanol (CID 115363212) is [1-[(5-amino-2-ethylbenzimidazol-1-yl)methyl]cyclopentyl]methanol.
What is the SMILES notation for [1-[(5-amino-2-ethylbenzimidazol-1-yl)methyl]cyclopentyl]methanol?
The canonical SMILES for [1-[(5-amino-2-ethylbenzimidazol-1-yl)methyl]cyclopentyl]methanol is CCc1nc2cc(N)ccc2n1CC1(CO)CCCC1.
What is the InChIKey of [1-[(5-amino-2-ethylbenzimidazol-1-yl)methyl]cyclopentyl]methanol?
The InChIKey is ACBCZOVEZWFNSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-2-15-18-13-9-12(17)5-6-14(13)19(15)10-16(11-20)7-3-4-8-16/h5-6,9,20H,2-4,7-8,10-11,17H2,1H3.
What are the key properties of [1-[(5-amino-2-ethylbenzimidazol-1-yl)methyl]cyclopentyl]methanol?
[1-[(5-amino-2-ethylbenzimidazol-1-yl)methyl]cyclopentyl]methanol has a molecular weight of 273.38 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(5-amino-2-ethylbenzimidazol-1-yl)methyl]cyclopentyl]methanol is sourced from PubChem (CID 115363212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).