2-(3-aminopropyl)-N,N-dimethyl-3H-benzimidazol-5-amine

C12H18N4 — CID 82285613

IUPAC2-(3-aminopropyl)-N,N-dimethyl-3H-benzimidazol-5-amine
SMILESCN(C)c1ccc2nc(CCCN)[nH]c2c1
InChIInChI=1S/C12H18N4/c1-16(2)9-5-6-10-11(8-9)15-12(14-10)4-3-7-13/h5-6,8H,3-4,7,13H2,1-2H3,(H,14,15)
InChIKeyGMQVNKMLVQPALX-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.52
Rot. Bonds4

About 2-(3-aminopropyl)-N,N-dimethyl-3H-benzimidazol-5-amine

2-(3-aminopropyl)-N,N-dimethyl-3H-benzimidazol-5-amine (PubChem CID 82285613) has the molecular formula C12H18N4 and a molecular weight of 218.30 g/mol. Its IUPAC name is 2-(3-aminopropyl)-N,N-dimethyl-3H-benzimidazol-5-amine.

Molecular Properties

Compound Name2-(3-aminopropyl)-N,N-dimethyl-3H-benzimidazol-5-amine
PubChem CID82285613
Molecular FormulaC12H18N4
Molecular Weight218.30 g/mol
Exact Mass218.15
IUPAC Name2-(3-aminopropyl)-N,N-dimethyl-3H-benzimidazol-5-amine
SMILESCN(C)c1ccc2nc(CCCN)[nH]c2c1
InChIInChI=1S/C12H18N4/c1-16(2)9-5-6-10-11(8-9)15-12(14-10)4-3-7-13/h5-6,8H,3-4,7,13H2,1-2H3,(H,14,15)
InChIKeyGMQVNKMLVQPALX-UHFFFAOYSA-N
XLogP1.52
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 ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-aminoethyl)-N,N-dimethyl-3H-benzimidazol-5-amine
CID 82282888
3-(6-propan-2-yloxy-1H-benzimidazol-2-yl)propan-1-amine
CID 82331922
6-chloro-2-[6-(6-chloro-1H-benzimidazol-2-yl)hexyl]-1H-benzimidazole
CID 23276808
2-(6-methyl-1H-benzimidazol-2-yl)ethanamine;dihydrochloride
CID 19195701
3-(5-chloro-6-methyl-1H-benzimidazol-2-yl)propan-1-amine
CID 82184501
(2-butyl-3H-benzimidazol-5-yl)methanamine
CID 79004472
2-butyl-3H-benzimidazol-5-amine
CID 23301932
2-(6-chloro-1H-benzimidazol-2-yl)ethanamine;hydrochloride
CID 46736450
2-(6-fluoro-1H-benzimidazol-2-yl)ethanamine
CID 16767401
2-butyl-6-(2-butyl-3H-benzimidazol-5-yl)-1H-benzimidazole
CID 101449351
2-(6-chloro-1H-benzimidazol-2-yl)-N,N-dimethylethanamine
CID 64725128
3-(6-amino-1H-benzimidazol-2-yl)propan-1-ol
CID 3096134

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopropyl)-N,N-dimethyl-3H-benzimidazol-5-amine?
The IUPAC name of 2-(3-aminopropyl)-N,N-dimethyl-3H-benzimidazol-5-amine (CID 82285613) is 2-(3-aminopropyl)-N,N-dimethyl-3H-benzimidazol-5-amine.
What is the SMILES notation for 2-(3-aminopropyl)-N,N-dimethyl-3H-benzimidazol-5-amine?
The canonical SMILES for 2-(3-aminopropyl)-N,N-dimethyl-3H-benzimidazol-5-amine is CN(C)c1ccc2nc(CCCN)[nH]c2c1.
What is the InChIKey of 2-(3-aminopropyl)-N,N-dimethyl-3H-benzimidazol-5-amine?
The InChIKey is GMQVNKMLVQPALX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4/c1-16(2)9-5-6-10-11(8-9)15-12(14-10)4-3-7-13/h5-6,8H,3-4,7,13H2,1-2H3,(H,14,15).
What are the key properties of 2-(3-aminopropyl)-N,N-dimethyl-3H-benzimidazol-5-amine?
2-(3-aminopropyl)-N,N-dimethyl-3H-benzimidazol-5-amine has a molecular weight of 218.30 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopropyl)-N,N-dimethyl-3H-benzimidazol-5-amine is sourced from PubChem (CID 82285613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).