1-(1H-benzimidazol-2-yl)-N-butyl-N-methylethane-1,2-diamine

C14H22N4 — CID 112514528

IUPAC1-(1H-benzimidazol-2-yl)-N-butyl-N-methylethane-1,2-diamine
SMILESCCCCN(C)C(CN)c1nc2ccccc2[nH]1
InChIInChI=1S/C14H22N4/c1-3-4-9-18(2)13(10-15)14-16-11-7-5-6-8-12(11)17-14/h5-8,13H,3-4,9-10,15H2,1-2H3,(H,16,17)
InChIKeyZBUWNJBRCRHATD-UHFFFAOYSA-N
MW246.36 g/mol
LogP2.29
Rot. Bonds6

About 1-(1H-benzimidazol-2-yl)-N-butyl-N-methylethane-1,2-diamine

1-(1H-benzimidazol-2-yl)-N-butyl-N-methylethane-1,2-diamine (PubChem CID 112514528) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is 1-(1H-benzimidazol-2-yl)-N-butyl-N-methylethane-1,2-diamine.

Molecular Properties

Compound Name1-(1H-benzimidazol-2-yl)-N-butyl-N-methylethane-1,2-diamine
PubChem CID112514528
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC Name1-(1H-benzimidazol-2-yl)-N-butyl-N-methylethane-1,2-diamine
SMILESCCCCN(C)C(CN)c1nc2ccccc2[nH]1
InChIInChI=1S/C14H22N4/c1-3-4-9-18(2)13(10-15)14-16-11-7-5-6-8-12(11)17-14/h5-8,13H,3-4,9-10,15H2,1-2H3,(H,16,17)
InChIKeyZBUWNJBRCRHATD-UHFFFAOYSA-N
XLogP2.29
TPSA57.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(1H-benzimidazol-2-yl)propyl]-N-methylbutan-1-amine
CID 82336426
1-(1H-benzimidazol-2-yl)-N,N-diethylethane-1,2-diamine
CID 54300780
N-butyl-N-methyl-1H-benzimidazol-2-amine
CID 71723451
N-[1-(6-ethyl-1H-benzimidazol-2-yl)propyl]-N-methylbutan-1-amine
CID 82336357
N-[1-(6-fluoro-1H-benzimidazol-2-yl)propyl]-N-methylbutan-1-amine
CID 82336306
3-[1-(1H-benzimidazol-2-yl)propyl-methylamino]propanoic acid
CID 82336431
(1R)-1-(1H-benzimidazol-2-yl)pentan-1-amine
CID 27506225
2-hexadecan-7-yl-1H-benzimidazole
CID 54269360
2-propan-2-yl-1H-benzimidazole
CID 22121
[(1S)-1-(1H-benzimidazol-2-yl)propyl]azanium
CID 6955866
(1S)-1-(1H-benzimidazol-2-yl)ethanol
CID 139074850
N-[1-(1H-benzimidazol-2-yl)ethyl]hexan-2-amine
CID 55104728

Frequently Asked Questions

What is the IUPAC name of 1-(1H-benzimidazol-2-yl)-N-butyl-N-methylethane-1,2-diamine?
The IUPAC name of 1-(1H-benzimidazol-2-yl)-N-butyl-N-methylethane-1,2-diamine (CID 112514528) is 1-(1H-benzimidazol-2-yl)-N-butyl-N-methylethane-1,2-diamine.
What is the SMILES notation for 1-(1H-benzimidazol-2-yl)-N-butyl-N-methylethane-1,2-diamine?
The canonical SMILES for 1-(1H-benzimidazol-2-yl)-N-butyl-N-methylethane-1,2-diamine is CCCCN(C)C(CN)c1nc2ccccc2[nH]1.
What is the InChIKey of 1-(1H-benzimidazol-2-yl)-N-butyl-N-methylethane-1,2-diamine?
The InChIKey is ZBUWNJBRCRHATD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4/c1-3-4-9-18(2)13(10-15)14-16-11-7-5-6-8-12(11)17-14/h5-8,13H,3-4,9-10,15H2,1-2H3,(H,16,17).
What are the key properties of 1-(1H-benzimidazol-2-yl)-N-butyl-N-methylethane-1,2-diamine?
1-(1H-benzimidazol-2-yl)-N-butyl-N-methylethane-1,2-diamine has a molecular weight of 246.36 g/mol, XLogP of 2.29, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-benzimidazol-2-yl)-N-butyl-N-methylethane-1,2-diamine is sourced from PubChem (CID 112514528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).