N,N'-dimethyl-1-(1-methylbenzimidazol-5-yl)butane-1,4-diamine

C14H22N4 — CID 116949485

IUPACN,N'-dimethyl-1-(1-methylbenzimidazol-5-yl)butane-1,4-diamine
SMILESCNCCCC(NC)c1ccc2c(c1)ncn2C
InChIInChI=1S/C14H22N4/c1-15-8-4-5-12(16-2)11-6-7-14-13(9-11)17-10-18(14)3/h6-7,9-10,12,15-16H,4-5,8H2,1-3H3
InChIKeyNKQRYOGSGLPKRZ-UHFFFAOYSA-N
MW246.36 g/mol
LogP1.83
Rot. Bonds6

About N,N'-dimethyl-1-(1-methylbenzimidazol-5-yl)butane-1,4-diamine

N,N'-dimethyl-1-(1-methylbenzimidazol-5-yl)butane-1,4-diamine (PubChem CID 116949485) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is N,N'-dimethyl-1-(1-methylbenzimidazol-5-yl)butane-1,4-diamine.

Molecular Properties

Compound NameN,N'-dimethyl-1-(1-methylbenzimidazol-5-yl)butane-1,4-diamine
PubChem CID116949485
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC NameN,N'-dimethyl-1-(1-methylbenzimidazol-5-yl)butane-1,4-diamine
SMILESCNCCCC(NC)c1ccc2c(c1)ncn2C
InChIInChI=1S/C14H22N4/c1-15-8-4-5-12(16-2)11-6-7-14-13(9-11)17-10-18(14)3/h6-7,9-10,12,15-16H,4-5,8H2,1-3H3
InChIKeyNKQRYOGSGLPKRZ-UHFFFAOYSA-N
XLogP1.83
TPSA41.88 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 ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(methylamino)-1-(1-methylbenzimidazol-5-yl)propan-1-ol
CID 82493892
6-[1,4-bis(methylamino)butyl]-3-methyl-1,3-benzoxazol-2-one
CID 116949489
N,3-dimethyl-2-(1-methylbenzimidazol-5-yl)butan-1-amine
CID 116964360
1-(3,4-dichlorophenyl)-N,N'-dimethylbutane-1,4-diamine
CID 116949498
2-(methylamino)-2-(1-methylbenzimidazol-5-yl)acetaldehyde
CID 116954228
2-amino-3-(methylamino)-3-(1-methylbenzimidazol-5-yl)propan-1-ol
CID 116957549
(1S)-1-(1-methylbenzimidazol-5-yl)ethanamine
CID 95992488
2-amino-3-(methylamino)-3-(1-methylbenzimidazol-5-yl)propanoic acid
CID 116957399
N'-methyl-2-(1-methylbenzimidazol-5-yl)propanehydrazide
CID 116847070
1-[3-(aminomethyl)oxetan-3-yl]-N-methyl-1-(1-methylbenzimidazol-5-yl)methanamine
CID 116959619
(3R)-3-hydroxy-3-(1-methylbenzimidazol-5-yl)propanoic acid
CID 95997414
4-hydroxy-4-(1-methylbenzimidazol-5-yl)butanoic acid
CID 82347089

Frequently Asked Questions

What is the IUPAC name of N,N'-dimethyl-1-(1-methylbenzimidazol-5-yl)butane-1,4-diamine?
The IUPAC name of N,N'-dimethyl-1-(1-methylbenzimidazol-5-yl)butane-1,4-diamine (CID 116949485) is N,N'-dimethyl-1-(1-methylbenzimidazol-5-yl)butane-1,4-diamine.
What is the SMILES notation for N,N'-dimethyl-1-(1-methylbenzimidazol-5-yl)butane-1,4-diamine?
The canonical SMILES for N,N'-dimethyl-1-(1-methylbenzimidazol-5-yl)butane-1,4-diamine is CNCCCC(NC)c1ccc2c(c1)ncn2C.
What is the InChIKey of N,N'-dimethyl-1-(1-methylbenzimidazol-5-yl)butane-1,4-diamine?
The InChIKey is NKQRYOGSGLPKRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4/c1-15-8-4-5-12(16-2)11-6-7-14-13(9-11)17-10-18(14)3/h6-7,9-10,12,15-16H,4-5,8H2,1-3H3.
What are the key properties of N,N'-dimethyl-1-(1-methylbenzimidazol-5-yl)butane-1,4-diamine?
N,N'-dimethyl-1-(1-methylbenzimidazol-5-yl)butane-1,4-diamine has a molecular weight of 246.36 g/mol, XLogP of 1.83, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethyl-1-(1-methylbenzimidazol-5-yl)butane-1,4-diamine is sourced from PubChem (CID 116949485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).