2-methyl-N-[(1-methylbenzimidazol-5-yl)methyl]butane-1,4-diamine

C14H22N4 — CID 115202593

IUPAC2-methyl-N-[(1-methylbenzimidazol-5-yl)methyl]butane-1,4-diamine
SMILESCC(CCN)CNCc1ccc2c(c1)ncn2C
InChIInChI=1S/C14H22N4/c1-11(5-6-15)8-16-9-12-3-4-14-13(7-12)17-10-18(14)2/h3-4,7,10-11,16H,5-6,8-9,15H2,1-2H3
InChIKeyBZRALAWWDABMJO-UHFFFAOYSA-N
MW246.36 g/mol
LogP1.65
Rot. Bonds6

About 2-methyl-N-[(1-methylbenzimidazol-5-yl)methyl]butane-1,4-diamine

2-methyl-N-[(1-methylbenzimidazol-5-yl)methyl]butane-1,4-diamine (PubChem CID 115202593) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is 2-methyl-N-[(1-methylbenzimidazol-5-yl)methyl]butane-1,4-diamine.

Molecular Properties

Compound Name2-methyl-N-[(1-methylbenzimidazol-5-yl)methyl]butane-1,4-diamine
PubChem CID115202593
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC Name2-methyl-N-[(1-methylbenzimidazol-5-yl)methyl]butane-1,4-diamine
SMILESCC(CCN)CNCc1ccc2c(c1)ncn2C
InChIInChI=1S/C14H22N4/c1-11(5-6-15)8-16-9-12-3-4-14-13(7-12)17-10-18(14)2/h3-4,7,10-11,16H,5-6,8-9,15H2,1-2H3
InChIKeyBZRALAWWDABMJO-UHFFFAOYSA-N
XLogP1.65
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-N-[(1-methylbenzimidazol-5-yl)methyl]butane-1,3-diamine
CID 115199334
2-(1-methylbenzimidazol-5-yl)ethanamine
CID 82255151
methane;(1-methylbenzimidazol-5-yl)methanamine
CID 159204423
4-(1-methylbenzimidazol-5-yl)butan-2-amine
CID 82491785
(2R)-1-(1-methylbenzimidazol-5-yl)propan-2-amine
CID 95404460
4-[(1-methylbenzimidazol-5-yl)methylamino]butan-1-ol
CID 115217622
[1-[[(1-methylbenzimidazol-5-yl)methylamino]methyl]cyclopropyl]methanol
CID 115243491
3,3-dimethyl-4-(1-methylbenzimidazol-5-yl)butan-1-amine
CID 116925164
2,2-dimethyl-3-[(1-methylbenzimidazol-5-yl)methylamino]propanenitrile
CID 115234056
2-methyl-N-[(4-propan-2-ylphenyl)methyl]butane-1,4-diamine
CID 115202512
(1-methylbenzimidazol-5-yl)methanethiol
CID 83529810
2-[(1-methylbenzimidazol-5-yl)methyl]butan-1-amine
CID 116930918

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(1-methylbenzimidazol-5-yl)methyl]butane-1,4-diamine?
The IUPAC name of 2-methyl-N-[(1-methylbenzimidazol-5-yl)methyl]butane-1,4-diamine (CID 115202593) is 2-methyl-N-[(1-methylbenzimidazol-5-yl)methyl]butane-1,4-diamine.
What is the SMILES notation for 2-methyl-N-[(1-methylbenzimidazol-5-yl)methyl]butane-1,4-diamine?
The canonical SMILES for 2-methyl-N-[(1-methylbenzimidazol-5-yl)methyl]butane-1,4-diamine is CC(CCN)CNCc1ccc2c(c1)ncn2C.
What is the InChIKey of 2-methyl-N-[(1-methylbenzimidazol-5-yl)methyl]butane-1,4-diamine?
The InChIKey is BZRALAWWDABMJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4/c1-11(5-6-15)8-16-9-12-3-4-14-13(7-12)17-10-18(14)2/h3-4,7,10-11,16H,5-6,8-9,15H2,1-2H3.
What are the key properties of 2-methyl-N-[(1-methylbenzimidazol-5-yl)methyl]butane-1,4-diamine?
2-methyl-N-[(1-methylbenzimidazol-5-yl)methyl]butane-1,4-diamine has a molecular weight of 246.36 g/mol, XLogP of 1.65, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(1-methylbenzimidazol-5-yl)methyl]butane-1,4-diamine is sourced from PubChem (CID 115202593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).