1-(3-methylcyclopentyl)-2-(1-propylbenzimidazol-2-yl)ethanamine

C18H27N3 — CID 79757049

IUPAC1-(3-methylcyclopentyl)-2-(1-propylbenzimidazol-2-yl)ethanamine
SMILESCCCn1c(CC(N)C2CCC(C)C2)nc2ccccc21
InChIInChI=1S/C18H27N3/c1-3-10-21-17-7-5-4-6-16(17)20-18(21)12-15(19)14-9-8-13(2)11-14/h4-7,13-15H,3,8-12,19H2,1-2H3
InChIKeyHFHOKLSTSXBHEE-UHFFFAOYSA-N
MW285.44 g/mol
LogP3.75
Rot. Bonds5

About 1-(3-methylcyclopentyl)-2-(1-propylbenzimidazol-2-yl)ethanamine

1-(3-methylcyclopentyl)-2-(1-propylbenzimidazol-2-yl)ethanamine (PubChem CID 79757049) has the molecular formula C18H27N3 and a molecular weight of 285.44 g/mol. Its IUPAC name is 1-(3-methylcyclopentyl)-2-(1-propylbenzimidazol-2-yl)ethanamine.

Molecular Properties

Compound Name1-(3-methylcyclopentyl)-2-(1-propylbenzimidazol-2-yl)ethanamine
PubChem CID79757049
Molecular FormulaC18H27N3
Molecular Weight285.44 g/mol
Exact Mass285.22
IUPAC Name1-(3-methylcyclopentyl)-2-(1-propylbenzimidazol-2-yl)ethanamine
SMILESCCCn1c(CC(N)C2CCC(C)C2)nc2ccccc21
InChIInChI=1S/C18H27N3/c1-3-10-21-17-7-5-4-6-16(17)20-18(21)12-15(19)14-9-8-13(2)11-14/h4-7,13-15H,3,8-12,19H2,1-2H3
InChIKeyHFHOKLSTSXBHEE-UHFFFAOYSA-N
XLogP3.75
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.44
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-2-(1-propylbenzimidazol-2-yl)ethanamine
CID 79754023
1-(oxan-4-yl)-2-(1-propylbenzimidazol-2-yl)ethanamine
CID 79757035
1-(3-bicyclo[3.1.0]hexanyl)-2-(1-propylbenzimidazol-2-yl)ethanol
CID 115818146
3-methyl-N-[(1-propylbenzimidazol-2-yl)methyl]cyclopentan-1-amine
CID 114544004
3,3-dimethyl-1-(1-propylbenzimidazol-2-yl)butan-2-amine
CID 79754185
1-cyclobutyl-3-(1-propylbenzimidazol-2-yl)propan-2-ol
CID 103170121
[2-(1-propylbenzimidazol-2-yl)-1-(thiolan-3-yl)ethyl]hydrazine
CID 105320892
1-cyclobutyl-2-(1-methylbenzimidazol-2-yl)ethanamine
CID 79750402
2-(1-ethylbenzimidazol-2-yl)-1-(3-methylcyclohexyl)ethanol
CID 79755078
2-(1-propylbenzimidazol-2-yl)-1-pyrimidin-2-ylethanamine
CID 79756292
2-[(4-methylpiperidin-1-yl)methyl]-1-propylbenzimidazole
CID 6491176
1-(6-bicyclo[3.1.0]hexanyl)-2-(1-propylbenzimidazol-2-yl)ethanol
CID 115818131

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylcyclopentyl)-2-(1-propylbenzimidazol-2-yl)ethanamine?
The IUPAC name of 1-(3-methylcyclopentyl)-2-(1-propylbenzimidazol-2-yl)ethanamine (CID 79757049) is 1-(3-methylcyclopentyl)-2-(1-propylbenzimidazol-2-yl)ethanamine.
What is the SMILES notation for 1-(3-methylcyclopentyl)-2-(1-propylbenzimidazol-2-yl)ethanamine?
The canonical SMILES for 1-(3-methylcyclopentyl)-2-(1-propylbenzimidazol-2-yl)ethanamine is CCCn1c(CC(N)C2CCC(C)C2)nc2ccccc21.
What is the InChIKey of 1-(3-methylcyclopentyl)-2-(1-propylbenzimidazol-2-yl)ethanamine?
The InChIKey is HFHOKLSTSXBHEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-3-10-21-17-7-5-4-6-16(17)20-18(21)12-15(19)14-9-8-13(2)11-14/h4-7,13-15H,3,8-12,19H2,1-2H3.
What are the key properties of 1-(3-methylcyclopentyl)-2-(1-propylbenzimidazol-2-yl)ethanamine?
1-(3-methylcyclopentyl)-2-(1-propylbenzimidazol-2-yl)ethanamine has a molecular weight of 285.44 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylcyclopentyl)-2-(1-propylbenzimidazol-2-yl)ethanamine is sourced from PubChem (CID 79757049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).