N'-(1H-benzimidazol-2-ylmethyl)-N'-methylpropane-1,3-diamine

C12H18N4 — CID 115319140

IUPACN'-(1H-benzimidazol-2-ylmethyl)-N'-methylpropane-1,3-diamine
SMILESCN(CCCN)Cc1nc2ccccc2[nH]1
InChIInChI=1S/C12H18N4/c1-16(8-4-7-13)9-12-14-10-5-2-3-6-11(10)15-12/h2-3,5-6H,4,7-9,13H2,1H3,(H,14,15)
InChIKeyJBWOMXSLFDTENC-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.34
Rot. Bonds5

About N'-(1H-benzimidazol-2-ylmethyl)-N'-methylpropane-1,3-diamine

N'-(1H-benzimidazol-2-ylmethyl)-N'-methylpropane-1,3-diamine (PubChem CID 115319140) has the molecular formula C12H18N4 and a molecular weight of 218.30 g/mol. Its IUPAC name is N'-(1H-benzimidazol-2-ylmethyl)-N'-methylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(1H-benzimidazol-2-ylmethyl)-N'-methylpropane-1,3-diamine
PubChem CID115319140
Molecular FormulaC12H18N4
Molecular Weight218.30 g/mol
Exact Mass218.15
IUPAC NameN'-(1H-benzimidazol-2-ylmethyl)-N'-methylpropane-1,3-diamine
SMILESCN(CCCN)Cc1nc2ccccc2[nH]1
InChIInChI=1S/C12H18N4/c1-16(8-4-7-13)9-12-14-10-5-2-3-6-11(10)15-12/h2-3,5-6H,4,7-9,13H2,1H3,(H,14,15)
InChIKeyJBWOMXSLFDTENC-UHFFFAOYSA-N
XLogP1.34
TPSA57.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[2-[1H-benzimidazol-2-ylmethyl(methyl)amino]ethyl]-N-methylcarbamate
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N-(1H-benzimidazol-2-ylmethyl)-2-methoxy-N-methylacetamide
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N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N-methylbutan-1-amine
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1H-benzimidazol-2-ylmethanamine;hydrate
CID 23192500
N'-(1H-benzimidazol-2-ylmethyl)-N'-(2-methyl-1-pyridin-2-ylpropyl)butane-1,4-diamine
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N-(1H-benzimidazol-2-ylmethyl)-N,4-dimethylbenzamide
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Frequently Asked Questions

What is the IUPAC name of N'-(1H-benzimidazol-2-ylmethyl)-N'-methylpropane-1,3-diamine?
The IUPAC name of N'-(1H-benzimidazol-2-ylmethyl)-N'-methylpropane-1,3-diamine (CID 115319140) is N'-(1H-benzimidazol-2-ylmethyl)-N'-methylpropane-1,3-diamine.
What is the SMILES notation for N'-(1H-benzimidazol-2-ylmethyl)-N'-methylpropane-1,3-diamine?
The canonical SMILES for N'-(1H-benzimidazol-2-ylmethyl)-N'-methylpropane-1,3-diamine is CN(CCCN)Cc1nc2ccccc2[nH]1.
What is the InChIKey of N'-(1H-benzimidazol-2-ylmethyl)-N'-methylpropane-1,3-diamine?
The InChIKey is JBWOMXSLFDTENC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4/c1-16(8-4-7-13)9-12-14-10-5-2-3-6-11(10)15-12/h2-3,5-6H,4,7-9,13H2,1H3,(H,14,15).
What are the key properties of N'-(1H-benzimidazol-2-ylmethyl)-N'-methylpropane-1,3-diamine?
N'-(1H-benzimidazol-2-ylmethyl)-N'-methylpropane-1,3-diamine has a molecular weight of 218.30 g/mol, XLogP of 1.34, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1H-benzimidazol-2-ylmethyl)-N'-methylpropane-1,3-diamine is sourced from PubChem (CID 115319140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).