4-N-(1H-benzimidazol-2-ylmethyl)cyclohexane-1,4-diamine

C14H20N4 — CID 79740858

IUPAC4-N-(1H-benzimidazol-2-ylmethyl)cyclohexane-1,4-diamine
SMILESNC1CCC(NCc2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C14H20N4/c15-10-5-7-11(8-6-10)16-9-14-17-12-3-1-2-4-13(12)18-14/h1-4,10-11,16H,5-9,15H2,(H,17,18)
InChIKeyQOCZFWPMLOVPCE-UHFFFAOYSA-N
MW244.34 g/mol
LogP1.92
Rot. Bonds3

About 4-N-(1H-benzimidazol-2-ylmethyl)cyclohexane-1,4-diamine

4-N-(1H-benzimidazol-2-ylmethyl)cyclohexane-1,4-diamine (PubChem CID 79740858) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is 4-N-(1H-benzimidazol-2-ylmethyl)cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-(1H-benzimidazol-2-ylmethyl)cyclohexane-1,4-diamine
PubChem CID79740858
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC Name4-N-(1H-benzimidazol-2-ylmethyl)cyclohexane-1,4-diamine
SMILESNC1CCC(NCc2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C14H20N4/c15-10-5-7-11(8-6-10)16-9-14-17-12-3-1-2-4-13(12)18-14/h1-4,10-11,16H,5-9,15H2,(H,17,18)
InChIKeyQOCZFWPMLOVPCE-UHFFFAOYSA-N
XLogP1.92
TPSA66.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1H-benzimidazol-2-ylmethyl)cyclobutanamine
CID 78991541
N-(1H-benzimidazol-2-ylmethyl)thian-4-amine
CID 78911306
N-(1H-benzimidazol-2-ylmethyl)azepan-4-amine
CID 103982041
N-(1H-benzimidazol-2-ylmethyl)-3-methylcyclohexan-1-amine
CID 78911302
N-(1H-benzimidazol-2-ylmethyl)oxan-3-amine
CID 78946096
N-[[1-(1H-benzimidazol-2-ylmethyl)triazol-4-yl]methyl]cyclopropanamine
CID 66191856
N-(1H-benzimidazol-2-ylmethyl)-1-cyclopropylmethanamine
CID 43655401
N-(1H-benzimidazol-2-ylmethyl)-1,1-dioxothian-3-amine
CID 78954108
4-N-(1H-benzimidazol-2-ylmethyl)-4-N-methylcyclohexane-1,4-diamine
CID 79121832
N-(1H-benzimidazol-2-ylmethyl)-2,2-dimethyloxan-4-amine
CID 78960182
(3R)-N-(1H-benzimidazol-2-ylmethyl)-1-(cyclohexylmethyl)piperidin-3-amine
CID 51635795
N-(1H-benzimidazol-2-ylmethyl)-1,1-dicyclopropylmethanamine
CID 78991581

Frequently Asked Questions

What is the IUPAC name of 4-N-(1H-benzimidazol-2-ylmethyl)cyclohexane-1,4-diamine?
The IUPAC name of 4-N-(1H-benzimidazol-2-ylmethyl)cyclohexane-1,4-diamine (CID 79740858) is 4-N-(1H-benzimidazol-2-ylmethyl)cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-(1H-benzimidazol-2-ylmethyl)cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-(1H-benzimidazol-2-ylmethyl)cyclohexane-1,4-diamine is NC1CCC(NCc2nc3ccccc3[nH]2)CC1.
What is the InChIKey of 4-N-(1H-benzimidazol-2-ylmethyl)cyclohexane-1,4-diamine?
The InChIKey is QOCZFWPMLOVPCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c15-10-5-7-11(8-6-10)16-9-14-17-12-3-1-2-4-13(12)18-14/h1-4,10-11,16H,5-9,15H2,(H,17,18).
What are the key properties of 4-N-(1H-benzimidazol-2-ylmethyl)cyclohexane-1,4-diamine?
4-N-(1H-benzimidazol-2-ylmethyl)cyclohexane-1,4-diamine has a molecular weight of 244.34 g/mol, XLogP of 1.92, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1H-benzimidazol-2-ylmethyl)cyclohexane-1,4-diamine is sourced from PubChem (CID 79740858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).