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

C15H22N4 — CID 79121832

IUPAC4-N-(1H-benzimidazol-2-ylmethyl)-4-N-methylcyclohexane-1,4-diamine
SMILESCN(Cc1nc2ccccc2[nH]1)C1CCC(N)CC1
InChIInChI=1S/C15H22N4/c1-19(12-8-6-11(16)7-9-12)10-15-17-13-4-2-3-5-14(13)18-15/h2-5,11-12H,6-10,16H2,1H3,(H,17,18)
InChIKeyMYXXVFBVUQLSRL-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.26
Rot. Bonds3

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

4-N-(1H-benzimidazol-2-ylmethyl)-4-N-methylcyclohexane-1,4-diamine (PubChem CID 79121832) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is 4-N-(1H-benzimidazol-2-ylmethyl)-4-N-methylcyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-(1H-benzimidazol-2-ylmethyl)-4-N-methylcyclohexane-1,4-diamine
PubChem CID79121832
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC Name4-N-(1H-benzimidazol-2-ylmethyl)-4-N-methylcyclohexane-1,4-diamine
SMILESCN(Cc1nc2ccccc2[nH]1)C1CCC(N)CC1
InChIInChI=1S/C15H22N4/c1-19(12-8-6-11(16)7-9-12)10-15-17-13-4-2-3-5-14(13)18-15/h2-5,11-12H,6-10,16H2,1H3,(H,17,18)
InChIKeyMYXXVFBVUQLSRL-UHFFFAOYSA-N
XLogP2.26
TPSA57.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1H-benzimidazol-2-ylmethyl)-N-methylazepan-4-amine
CID 107173191
1-(5-amino-1H-1,2,4-triazol-3-yl)-N-(1H-benzimidazol-2-ylmethyl)-N-methylpiperidin-4-amine
CID 118165359
2-[1H-benzimidazol-2-ylmethyl(methyl)amino]cyclohexan-1-ol
CID 102636442
4-N-methyl-4-N-(quinolin-2-ylmethyl)cyclohexane-1,4-diamine
CID 79112911
4-N-(1H-benzimidazol-2-ylmethyl)cyclohexane-1,4-diamine
CID 79740858
2-N,3-N-bis(1H-benzimidazol-2-ylmethyl)-2-N,3-N-dimethyl-1,4-diphenylbutane-2,3-diamine
CID 175787305
2-[[cyclohexyl(methyl)amino]methyl]-3H-benzimidazol-5-amine
CID 43375602
2-[2-(1H-benzimidazol-2-yl)ethyl]-1-cyclopropyl-1-methylguanidine
CID 110029580
6-(3-aminocyclobutyl)-N-(1H-benzimidazol-2-ylmethyl)-2-cyclopropyl-N-methylpyrimidin-4-amine
CID 91771660
N'-(1H-benzimidazol-2-ylmethyl)-N'-methylpropane-1,3-diamine
CID 115319140
N-(1H-benzimidazol-2-ylmethyl)-1-[2-(cyclopentylmethyl)-1H-imidazol-5-yl]-N-methylmethanamine
CID 74236272
4-N-methyl-4-N-[(2-methylquinolin-4-yl)methyl]cyclohexane-1,4-diamine
CID 79233798

Frequently Asked Questions

What is the IUPAC name of 4-N-(1H-benzimidazol-2-ylmethyl)-4-N-methylcyclohexane-1,4-diamine?
The IUPAC name of 4-N-(1H-benzimidazol-2-ylmethyl)-4-N-methylcyclohexane-1,4-diamine (CID 79121832) is 4-N-(1H-benzimidazol-2-ylmethyl)-4-N-methylcyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-(1H-benzimidazol-2-ylmethyl)-4-N-methylcyclohexane-1,4-diamine?
The canonical SMILES for 4-N-(1H-benzimidazol-2-ylmethyl)-4-N-methylcyclohexane-1,4-diamine is CN(Cc1nc2ccccc2[nH]1)C1CCC(N)CC1.
What is the InChIKey of 4-N-(1H-benzimidazol-2-ylmethyl)-4-N-methylcyclohexane-1,4-diamine?
The InChIKey is MYXXVFBVUQLSRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c1-19(12-8-6-11(16)7-9-12)10-15-17-13-4-2-3-5-14(13)18-15/h2-5,11-12H,6-10,16H2,1H3,(H,17,18).
What are the key properties of 4-N-(1H-benzimidazol-2-ylmethyl)-4-N-methylcyclohexane-1,4-diamine?
4-N-(1H-benzimidazol-2-ylmethyl)-4-N-methylcyclohexane-1,4-diamine has a molecular weight of 258.37 g/mol, XLogP of 2.26, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1H-benzimidazol-2-ylmethyl)-4-N-methylcyclohexane-1,4-diamine is sourced from PubChem (CID 79121832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).