1-cycloheptyl-3-(1-methylbenzimidazol-2-yl)propan-2-amine

C18H27N3 — CID 105007666

IUPAC1-cycloheptyl-3-(1-methylbenzimidazol-2-yl)propan-2-amine
SMILESCn1c(CC(N)CC2CCCCCC2)nc2ccccc21
InChIInChI=1S/C18H27N3/c1-21-17-11-7-6-10-16(17)20-18(21)13-15(19)12-14-8-4-2-3-5-9-14/h6-7,10-11,14-15H,2-5,8-9,12-13,19H2,1H3
InChIKeyKIXOJIXADCPRRK-UHFFFAOYSA-N
MW285.44 g/mol
LogP3.80
Rot. Bonds4

About 1-cycloheptyl-3-(1-methylbenzimidazol-2-yl)propan-2-amine

1-cycloheptyl-3-(1-methylbenzimidazol-2-yl)propan-2-amine (PubChem CID 105007666) has the molecular formula C18H27N3 and a molecular weight of 285.44 g/mol. Its IUPAC name is 1-cycloheptyl-3-(1-methylbenzimidazol-2-yl)propan-2-amine.

Molecular Properties

Compound Name1-cycloheptyl-3-(1-methylbenzimidazol-2-yl)propan-2-amine
PubChem CID105007666
Molecular FormulaC18H27N3
Molecular Weight285.44 g/mol
Exact Mass285.22
IUPAC Name1-cycloheptyl-3-(1-methylbenzimidazol-2-yl)propan-2-amine
SMILESCn1c(CC(N)CC2CCCCCC2)nc2ccccc21
InChIInChI=1S/C18H27N3/c1-21-17-11-7-6-10-16(17)20-18(21)13-15(19)12-14-8-4-2-3-5-9-14/h6-7,10-11,14-15H,2-5,8-9,12-13,19H2,1H3
InChIKeyKIXOJIXADCPRRK-UHFFFAOYSA-N
XLogP3.80
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.44
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-cyclopentyl-1-(1-methylbenzimidazol-2-yl)butan-2-amine
CID 105007641
1-cyclobutyl-2-(1-methylbenzimidazol-2-yl)ethanamine
CID 79750402
4-cyclopentyl-1-(1-methylbenzimidazol-2-yl)butan-2-ol
CID 115818515
4-methyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine
CID 79753294
2-amino-3-(1-methylbenzimidazol-2-yl)propan-1-ol;hydrochloride
CID 170893125
5,5,5-trifluoro-1-(1-methylbenzimidazol-2-yl)pentan-2-amine
CID 79953293
1-cycloheptyl-3-(1-methylbenzimidazol-2-yl)propan-2-one
CID 115782360
2-(1-methylbenzimidazol-2-yl)-1-(oxan-4-yl)ethanol
CID 79753334
1-cyclopentylsulfanyl-3-(1-methylbenzimidazol-2-yl)propan-2-ol
CID 79753289
1-cyclopentyl-2-(1-methylbenzimidazol-2-yl)ethanone
CID 79753927
1-(1-ethylbenzimidazol-2-yl)-3-(oxolan-3-yl)propan-2-amine
CID 103986866
2-(1-methylbenzimidazol-2-yl)-1-pyrimidin-2-ylethanamine
CID 79753296

Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-3-(1-methylbenzimidazol-2-yl)propan-2-amine?
The IUPAC name of 1-cycloheptyl-3-(1-methylbenzimidazol-2-yl)propan-2-amine (CID 105007666) is 1-cycloheptyl-3-(1-methylbenzimidazol-2-yl)propan-2-amine.
What is the SMILES notation for 1-cycloheptyl-3-(1-methylbenzimidazol-2-yl)propan-2-amine?
The canonical SMILES for 1-cycloheptyl-3-(1-methylbenzimidazol-2-yl)propan-2-amine is Cn1c(CC(N)CC2CCCCCC2)nc2ccccc21.
What is the InChIKey of 1-cycloheptyl-3-(1-methylbenzimidazol-2-yl)propan-2-amine?
The InChIKey is KIXOJIXADCPRRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-21-17-11-7-6-10-16(17)20-18(21)13-15(19)12-14-8-4-2-3-5-9-14/h6-7,10-11,14-15H,2-5,8-9,12-13,19H2,1H3.
What are the key properties of 1-cycloheptyl-3-(1-methylbenzimidazol-2-yl)propan-2-amine?
1-cycloheptyl-3-(1-methylbenzimidazol-2-yl)propan-2-amine has a molecular weight of 285.44 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-3-(1-methylbenzimidazol-2-yl)propan-2-amine is sourced from PubChem (CID 105007666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).