N-methyl-2-(2-propylbenzimidazol-1-yl)cyclohexan-1-amine

C17H25N3 — CID 115970701

IUPACN-methyl-2-(2-propylbenzimidazol-1-yl)cyclohexan-1-amine
SMILESCCCc1nc2ccccc2n1C1CCCCC1NC
InChIInChI=1S/C17H25N3/c1-3-8-17-19-14-10-5-7-12-16(14)20(17)15-11-6-4-9-13(15)18-2/h5,7,10,12-13,15,18H,3-4,6,8-9,11H2,1-2H3
InChIKeyMLHVCFGMAOIARX-UHFFFAOYSA-N
MW271.41 g/mol
LogP3.69
Rot. Bonds4

About N-methyl-2-(2-propylbenzimidazol-1-yl)cyclohexan-1-amine

N-methyl-2-(2-propylbenzimidazol-1-yl)cyclohexan-1-amine (PubChem CID 115970701) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is N-methyl-2-(2-propylbenzimidazol-1-yl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-methyl-2-(2-propylbenzimidazol-1-yl)cyclohexan-1-amine
PubChem CID115970701
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC NameN-methyl-2-(2-propylbenzimidazol-1-yl)cyclohexan-1-amine
SMILESCCCc1nc2ccccc2n1C1CCCCC1NC
InChIInChI=1S/C17H25N3/c1-3-8-17-19-14-10-5-7-12-16(14)20(17)15-11-6-4-9-13(15)18-2/h5,7,10,12-13,15,18H,3-4,6,8-9,11H2,1-2H3
InChIKeyMLHVCFGMAOIARX-UHFFFAOYSA-N
XLogP3.69
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2-propylbenzimidazol-1-yl)cyclohexan-1-amine?
The IUPAC name of N-methyl-2-(2-propylbenzimidazol-1-yl)cyclohexan-1-amine (CID 115970701) is N-methyl-2-(2-propylbenzimidazol-1-yl)cyclohexan-1-amine.
What is the SMILES notation for N-methyl-2-(2-propylbenzimidazol-1-yl)cyclohexan-1-amine?
The canonical SMILES for N-methyl-2-(2-propylbenzimidazol-1-yl)cyclohexan-1-amine is CCCc1nc2ccccc2n1C1CCCCC1NC.
What is the InChIKey of N-methyl-2-(2-propylbenzimidazol-1-yl)cyclohexan-1-amine?
The InChIKey is MLHVCFGMAOIARX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-3-8-17-19-14-10-5-7-12-16(14)20(17)15-11-6-4-9-13(15)18-2/h5,7,10,12-13,15,18H,3-4,6,8-9,11H2,1-2H3.
What are the key properties of N-methyl-2-(2-propylbenzimidazol-1-yl)cyclohexan-1-amine?
N-methyl-2-(2-propylbenzimidazol-1-yl)cyclohexan-1-amine has a molecular weight of 271.41 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2-propylbenzimidazol-1-yl)cyclohexan-1-amine is sourced from PubChem (CID 115970701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).