2-N-(3H-benzimidazol-5-ylmethyl)-2-N-methylpropane-1,2-diamine

C12H18N4 — CID 117040046

IUPAC2-N-(3H-benzimidazol-5-ylmethyl)-2-N-methylpropane-1,2-diamine
SMILESCC(CN)N(C)Cc1ccc2nc[nH]c2c1
InChIInChI=1S/C12H18N4/c1-9(6-13)16(2)7-10-3-4-11-12(5-10)15-8-14-11/h3-5,8-9H,6-7,13H2,1-2H3,(H,14,15)
InChIKeyGLZYPYBZIVWOQN-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.34
Rot. Bonds4

About 2-N-(3H-benzimidazol-5-ylmethyl)-2-N-methylpropane-1,2-diamine

2-N-(3H-benzimidazol-5-ylmethyl)-2-N-methylpropane-1,2-diamine (PubChem CID 117040046) has the molecular formula C12H18N4 and a molecular weight of 218.30 g/mol. Its IUPAC name is 2-N-(3H-benzimidazol-5-ylmethyl)-2-N-methylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-(3H-benzimidazol-5-ylmethyl)-2-N-methylpropane-1,2-diamine
PubChem CID117040046
Molecular FormulaC12H18N4
Molecular Weight218.30 g/mol
Exact Mass218.15
IUPAC Name2-N-(3H-benzimidazol-5-ylmethyl)-2-N-methylpropane-1,2-diamine
SMILESCC(CN)N(C)Cc1ccc2nc[nH]c2c1
InChIInChI=1S/C12H18N4/c1-9(6-13)16(2)7-10-3-4-11-12(5-10)15-8-14-11/h3-5,8-9H,6-7,13H2,1-2H3,(H,14,15)
InChIKeyGLZYPYBZIVWOQN-UHFFFAOYSA-N
XLogP1.34
TPSA57.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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

N-(3H-benzimidazol-5-ylmethyl)-N-methylpropan-2-amine
CID 117044066
N'-(3H-benzimidazol-5-ylmethyl)-N'-ethylethane-1,2-diamine
CID 103102145
N'-(3H-benzimidazol-5-ylmethyl)-N'-methylbutane-1,4-diamine
CID 115201335
N'-[2-(3H-benzimidazol-5-yl)ethyl]-N',2-dimethylbutane-1,4-diamine
CID 115203481
4-amino-1-[3H-benzimidazol-5-ylmethyl(methyl)amino]butan-2-ol
CID 117039239
3-N-[2-(3H-benzimidazol-5-yl)ethyl]-3-N-methylpropane-1,2,3-triamine
CID 115120132
3-[3H-benzimidazol-5-ylmethyl(methyl)amino]propanoic acid
CID 115218303
6-(3-methylbutyl)-1H-benzimidazole
CID 58439474
2-N-(3H-benzimidazol-5-yl)-2-N,3-dimethylbutane-1,2-diamine
CID 115138063
5-(3H-benzimidazol-5-yl)pentan-2-amine
CID 116925069
3-[3H-benzimidazol-5-ylmethyl(methyl)amino]propanenitrile
CID 115231013
4-[3H-benzimidazol-5-ylmethyl(methyl)amino]butan-1-ol
CID 115217708

Frequently Asked Questions

What is the IUPAC name of 2-N-(3H-benzimidazol-5-ylmethyl)-2-N-methylpropane-1,2-diamine?
The IUPAC name of 2-N-(3H-benzimidazol-5-ylmethyl)-2-N-methylpropane-1,2-diamine (CID 117040046) is 2-N-(3H-benzimidazol-5-ylmethyl)-2-N-methylpropane-1,2-diamine.
What is the SMILES notation for 2-N-(3H-benzimidazol-5-ylmethyl)-2-N-methylpropane-1,2-diamine?
The canonical SMILES for 2-N-(3H-benzimidazol-5-ylmethyl)-2-N-methylpropane-1,2-diamine is CC(CN)N(C)Cc1ccc2nc[nH]c2c1.
What is the InChIKey of 2-N-(3H-benzimidazol-5-ylmethyl)-2-N-methylpropane-1,2-diamine?
The InChIKey is GLZYPYBZIVWOQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4/c1-9(6-13)16(2)7-10-3-4-11-12(5-10)15-8-14-11/h3-5,8-9H,6-7,13H2,1-2H3,(H,14,15).
What are the key properties of 2-N-(3H-benzimidazol-5-ylmethyl)-2-N-methylpropane-1,2-diamine?
2-N-(3H-benzimidazol-5-ylmethyl)-2-N-methylpropane-1,2-diamine has a molecular weight of 218.30 g/mol, XLogP of 1.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3H-benzimidazol-5-ylmethyl)-2-N-methylpropane-1,2-diamine is sourced from PubChem (CID 117040046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).