3-N-[2-(3H-benzimidazol-5-yl)ethyl]-3-N-methylpropane-1,2,3-triamine

C13H21N5 — CID 115120132

IUPAC3-N-[2-(3H-benzimidazol-5-yl)ethyl]-3-N-methylpropane-1,2,3-triamine
SMILESCN(CCc1ccc2nc[nH]c2c1)CC(N)CN
InChIInChI=1S/C13H21N5/c1-18(8-11(15)7-14)5-4-10-2-3-12-13(6-10)17-9-16-12/h2-3,6,9,11H,4-5,7-8,14-15H2,1H3,(H,16,17)
InChIKeyIJDFYGJMXDHAKG-UHFFFAOYSA-N
MW247.35 g/mol
LogP0.32
Rot. Bonds6

About 3-N-[2-(3H-benzimidazol-5-yl)ethyl]-3-N-methylpropane-1,2,3-triamine

3-N-[2-(3H-benzimidazol-5-yl)ethyl]-3-N-methylpropane-1,2,3-triamine (PubChem CID 115120132) has the molecular formula C13H21N5 and a molecular weight of 247.35 g/mol. Its IUPAC name is 3-N-[2-(3H-benzimidazol-5-yl)ethyl]-3-N-methylpropane-1,2,3-triamine.

Molecular Properties

Compound Name3-N-[2-(3H-benzimidazol-5-yl)ethyl]-3-N-methylpropane-1,2,3-triamine
PubChem CID115120132
Molecular FormulaC13H21N5
Molecular Weight247.35 g/mol
Exact Mass247.18
IUPAC Name3-N-[2-(3H-benzimidazol-5-yl)ethyl]-3-N-methylpropane-1,2,3-triamine
SMILESCN(CCc1ccc2nc[nH]c2c1)CC(N)CN
InChIInChI=1S/C13H21N5/c1-18(8-11(15)7-14)5-4-10-2-3-12-13(6-10)17-9-16-12/h2-3,6,9,11H,4-5,7-8,14-15H2,1H3,(H,16,17)
InChIKeyIJDFYGJMXDHAKG-UHFFFAOYSA-N
XLogP0.32
TPSA83.96 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.35
LogP ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N'-[2-(3H-benzimidazol-5-yl)ethyl]-N',2-dimethylbutane-1,4-diamine
CID 115203481
2-[2-(3H-benzimidazol-5-yl)ethyl-methylamino]ethanethiol
CID 115224401
2-N-[2-(3H-benzimidazol-5-yl)ethyl]-2-N-methylbenzene-1,2-diamine
CID 115124633
1-[[2-(3H-benzimidazol-5-yl)ethyl-methylamino]methyl]cyclopropan-1-amine
CID 115257071
6-(3-methylbutyl)-1H-benzimidazole
CID 58439474
2-N-(3H-benzimidazol-5-ylmethyl)-2-N-methylpropane-1,2-diamine
CID 117040046
N'-[2-(3H-benzimidazol-5-yl)ethyl]-N'-methyloxamide
CID 115192241
5-(3H-benzimidazol-5-yl)pentan-2-amine
CID 116925069
N'-(3H-benzimidazol-5-ylmethyl)-N'-methylbutane-1,4-diamine
CID 115201335
6-(2-fluoroethyl)-1H-benzimidazole
CID 139795437
4-amino-N-[2-(3H-benzimidazol-5-yl)ethyl]-N-methylbutanamide
CID 115155498
10-(3H-benzimidazol-5-yl)decan-1-amine
CID 150986948

Frequently Asked Questions

What is the IUPAC name of 3-N-[2-(3H-benzimidazol-5-yl)ethyl]-3-N-methylpropane-1,2,3-triamine?
The IUPAC name of 3-N-[2-(3H-benzimidazol-5-yl)ethyl]-3-N-methylpropane-1,2,3-triamine (CID 115120132) is 3-N-[2-(3H-benzimidazol-5-yl)ethyl]-3-N-methylpropane-1,2,3-triamine.
What is the SMILES notation for 3-N-[2-(3H-benzimidazol-5-yl)ethyl]-3-N-methylpropane-1,2,3-triamine?
The canonical SMILES for 3-N-[2-(3H-benzimidazol-5-yl)ethyl]-3-N-methylpropane-1,2,3-triamine is CN(CCc1ccc2nc[nH]c2c1)CC(N)CN.
What is the InChIKey of 3-N-[2-(3H-benzimidazol-5-yl)ethyl]-3-N-methylpropane-1,2,3-triamine?
The InChIKey is IJDFYGJMXDHAKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5/c1-18(8-11(15)7-14)5-4-10-2-3-12-13(6-10)17-9-16-12/h2-3,6,9,11H,4-5,7-8,14-15H2,1H3,(H,16,17).
What are the key properties of 3-N-[2-(3H-benzimidazol-5-yl)ethyl]-3-N-methylpropane-1,2,3-triamine?
3-N-[2-(3H-benzimidazol-5-yl)ethyl]-3-N-methylpropane-1,2,3-triamine has a molecular weight of 247.35 g/mol, XLogP of 0.32, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[2-(3H-benzimidazol-5-yl)ethyl]-3-N-methylpropane-1,2,3-triamine is sourced from PubChem (CID 115120132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).