4-N-methyl-4-N-(1-methylbenzimidazol-5-yl)cyclohexane-1,4-diamine

C15H22N4 — CID 115149791

IUPAC4-N-methyl-4-N-(1-methylbenzimidazol-5-yl)cyclohexane-1,4-diamine
SMILESCN(c1ccc2c(c1)ncn2C)C1CCC(N)CC1
InChIInChI=1S/C15H22N4/c1-18-10-17-14-9-13(7-8-15(14)18)19(2)12-5-3-11(16)4-6-12/h7-12H,3-6,16H2,1-2H3
InChIKeyCNKJZHPSZUQNCQ-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.28
Rot. Bonds2

About 4-N-methyl-4-N-(1-methylbenzimidazol-5-yl)cyclohexane-1,4-diamine

4-N-methyl-4-N-(1-methylbenzimidazol-5-yl)cyclohexane-1,4-diamine (PubChem CID 115149791) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is 4-N-methyl-4-N-(1-methylbenzimidazol-5-yl)cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-methyl-4-N-(1-methylbenzimidazol-5-yl)cyclohexane-1,4-diamine
PubChem CID115149791
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC Name4-N-methyl-4-N-(1-methylbenzimidazol-5-yl)cyclohexane-1,4-diamine
SMILESCN(c1ccc2c(c1)ncn2C)C1CCC(N)CC1
InChIInChI=1S/C15H22N4/c1-18-10-17-14-9-13(7-8-15(14)18)19(2)12-5-3-11(16)4-6-12/h7-12H,3-6,16H2,1-2H3
InChIKeyCNKJZHPSZUQNCQ-UHFFFAOYSA-N
XLogP2.28
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,1-dimethyl-N-pyrrolidin-3-ylbenzimidazol-5-amine
CID 115118759
3-N-methyl-3-N-(1-methylbenzimidazol-5-yl)propane-1,2,3-triamine
CID 115119590
2-[cyclopropyl(methyl)amino]-2-(1-methylbenzimidazol-5-yl)acetic acid
CID 116857492
ethyl N-methyl-N-(1-methylbenzimidazol-5-yl)carbamate
CID 110869320
N-methyl-N-(1-methylbenzimidazol-5-yl)oxolane-2-carboxamide
CID 110869282
3-amino-N,3-dimethyl-N-(1-methylbenzimidazol-5-yl)butanamide
CID 115154935
3-amino-N,2-dimethyl-N-(1-methylbenzimidazol-5-yl)propanamide
CID 115153596
N-methyl-N-(1-methylbenzimidazol-5-yl)ethanesulfonamide
CID 110869331
2-N,4-dimethyl-2-N-(1-methylbenzimidazol-5-yl)benzene-1,2-diamine
CID 115126305
4-N-methyl-4-N-(4-methylphenyl)cyclohexane-1,4-diamine
CID 78917483
2-methyl-1-[methyl-(1-methylbenzimidazol-5-yl)amino]propan-2-ol
CID 115136919
5-[cyclopropyl(difluoro)methyl]-1-methylbenzimidazole
CID 116841728

Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-4-N-(1-methylbenzimidazol-5-yl)cyclohexane-1,4-diamine?
The IUPAC name of 4-N-methyl-4-N-(1-methylbenzimidazol-5-yl)cyclohexane-1,4-diamine (CID 115149791) is 4-N-methyl-4-N-(1-methylbenzimidazol-5-yl)cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-methyl-4-N-(1-methylbenzimidazol-5-yl)cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-methyl-4-N-(1-methylbenzimidazol-5-yl)cyclohexane-1,4-diamine is CN(c1ccc2c(c1)ncn2C)C1CCC(N)CC1.
What is the InChIKey of 4-N-methyl-4-N-(1-methylbenzimidazol-5-yl)cyclohexane-1,4-diamine?
The InChIKey is CNKJZHPSZUQNCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c1-18-10-17-14-9-13(7-8-15(14)18)19(2)12-5-3-11(16)4-6-12/h7-12H,3-6,16H2,1-2H3.
What are the key properties of 4-N-methyl-4-N-(1-methylbenzimidazol-5-yl)cyclohexane-1,4-diamine?
4-N-methyl-4-N-(1-methylbenzimidazol-5-yl)cyclohexane-1,4-diamine has a molecular weight of 258.37 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-4-N-(1-methylbenzimidazol-5-yl)cyclohexane-1,4-diamine is sourced from PubChem (CID 115149791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).