N-[(1-methylbenzimidazol-2-yl)methyl]cyclohexanamine

C15H21N3 — CID 797055

IUPACN-[(1-methylbenzimidazol-2-yl)methyl]cyclohexanamine
SMILESCn1c(CNC2CCCCC2)nc2ccccc21
InChIInChI=1S/C15H21N3/c1-18-14-10-6-5-9-13(14)17-15(18)11-16-12-7-3-2-4-8-12/h5-6,9-10,12,16H,2-4,7-8,11H2,1H3
InChIKeyUQKKSTITHUVMOF-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.00
Rot. Bonds3

About N-[(1-methylbenzimidazol-2-yl)methyl]cyclohexanamine

N-[(1-methylbenzimidazol-2-yl)methyl]cyclohexanamine (PubChem CID 797055) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is N-[(1-methylbenzimidazol-2-yl)methyl]cyclohexanamine.

Molecular Properties

Compound NameN-[(1-methylbenzimidazol-2-yl)methyl]cyclohexanamine
PubChem CID797055
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC NameN-[(1-methylbenzimidazol-2-yl)methyl]cyclohexanamine
SMILESCn1c(CNC2CCCCC2)nc2ccccc21
InChIInChI=1S/C15H21N3/c1-18-14-10-6-5-9-13(14)17-15(18)11-16-12-7-3-2-4-8-12/h5-6,9-10,12,16H,2-4,7-8,11H2,1H3
InChIKeyUQKKSTITHUVMOF-UHFFFAOYSA-N
XLogP3.00
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1-methylbenzimidazol-2-yl)methyl]cyclohexanamine?
The IUPAC name of N-[(1-methylbenzimidazol-2-yl)methyl]cyclohexanamine (CID 797055) is N-[(1-methylbenzimidazol-2-yl)methyl]cyclohexanamine.
What is the SMILES notation for N-[(1-methylbenzimidazol-2-yl)methyl]cyclohexanamine?
The canonical SMILES for N-[(1-methylbenzimidazol-2-yl)methyl]cyclohexanamine is Cn1c(CNC2CCCCC2)nc2ccccc21.
What is the InChIKey of N-[(1-methylbenzimidazol-2-yl)methyl]cyclohexanamine?
The InChIKey is UQKKSTITHUVMOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-18-14-10-6-5-9-13(14)17-15(18)11-16-12-7-3-2-4-8-12/h5-6,9-10,12,16H,2-4,7-8,11H2,1H3.
What are the key properties of N-[(1-methylbenzimidazol-2-yl)methyl]cyclohexanamine?
N-[(1-methylbenzimidazol-2-yl)methyl]cyclohexanamine has a molecular weight of 243.35 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylbenzimidazol-2-yl)methyl]cyclohexanamine is sourced from PubChem (CID 797055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).