1-[(1-cyclopropylbenzimidazol-2-yl)methyl]-N-methylcyclohexan-1-amine

C18H25N3 — CID 65243114

IUPAC1-[(1-cyclopropylbenzimidazol-2-yl)methyl]-N-methylcyclohexan-1-amine
SMILESCNC1(Cc2nc3ccccc3n2C2CC2)CCCCC1
InChIInChI=1S/C18H25N3/c1-19-18(11-5-2-6-12-18)13-17-20-15-7-3-4-8-16(15)21(17)14-9-10-14/h3-4,7-8,14,19H,2,5-6,9-13H2,1H3
InChIKeyYHXDQUHVESBUGE-UHFFFAOYSA-N
MW283.42 g/mol
LogP3.84
Rot. Bonds4

About 1-[(1-cyclopropylbenzimidazol-2-yl)methyl]-N-methylcyclohexan-1-amine

1-[(1-cyclopropylbenzimidazol-2-yl)methyl]-N-methylcyclohexan-1-amine (PubChem CID 65243114) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is 1-[(1-cyclopropylbenzimidazol-2-yl)methyl]-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[(1-cyclopropylbenzimidazol-2-yl)methyl]-N-methylcyclohexan-1-amine
PubChem CID65243114
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC Name1-[(1-cyclopropylbenzimidazol-2-yl)methyl]-N-methylcyclohexan-1-amine
SMILESCNC1(Cc2nc3ccccc3n2C2CC2)CCCCC1
InChIInChI=1S/C18H25N3/c1-19-18(11-5-2-6-12-18)13-17-20-15-7-3-4-8-16(15)21(17)14-9-10-14/h3-4,7-8,14,19H,2,5-6,9-13H2,1H3
InChIKeyYHXDQUHVESBUGE-UHFFFAOYSA-N
XLogP3.84
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-cyclopropylbenzimidazol-2-yl)methyl]-N-methylcyclohexan-1-amine?
The IUPAC name of 1-[(1-cyclopropylbenzimidazol-2-yl)methyl]-N-methylcyclohexan-1-amine (CID 65243114) is 1-[(1-cyclopropylbenzimidazol-2-yl)methyl]-N-methylcyclohexan-1-amine.
What is the SMILES notation for 1-[(1-cyclopropylbenzimidazol-2-yl)methyl]-N-methylcyclohexan-1-amine?
The canonical SMILES for 1-[(1-cyclopropylbenzimidazol-2-yl)methyl]-N-methylcyclohexan-1-amine is CNC1(Cc2nc3ccccc3n2C2CC2)CCCCC1.
What is the InChIKey of 1-[(1-cyclopropylbenzimidazol-2-yl)methyl]-N-methylcyclohexan-1-amine?
The InChIKey is YHXDQUHVESBUGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-19-18(11-5-2-6-12-18)13-17-20-15-7-3-4-8-16(15)21(17)14-9-10-14/h3-4,7-8,14,19H,2,5-6,9-13H2,1H3.
What are the key properties of 1-[(1-cyclopropylbenzimidazol-2-yl)methyl]-N-methylcyclohexan-1-amine?
1-[(1-cyclopropylbenzimidazol-2-yl)methyl]-N-methylcyclohexan-1-amine has a molecular weight of 283.42 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-cyclopropylbenzimidazol-2-yl)methyl]-N-methylcyclohexan-1-amine is sourced from PubChem (CID 65243114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).