3-(7-chloro-3H-benzimidazol-5-yl)-2-methylpropan-1-amine

C11H14ClN3 — CID 83891497

IUPAC3-(7-chloro-3H-benzimidazol-5-yl)-2-methylpropan-1-amine
SMILESCC(CN)Cc1cc(Cl)c2nc[nH]c2c1
InChIInChI=1S/C11H14ClN3/c1-7(5-13)2-8-3-9(12)11-10(4-8)14-6-15-11/h3-4,6-7H,2,5,13H2,1H3,(H,14,15)
InChIKeyKXAGZEUSONEIGT-UHFFFAOYSA-N
MW223.71 g/mol
LogP2.35
Rot. Bonds3

About 3-(7-chloro-3H-benzimidazol-5-yl)-2-methylpropan-1-amine

3-(7-chloro-3H-benzimidazol-5-yl)-2-methylpropan-1-amine (PubChem CID 83891497) has the molecular formula C11H14ClN3 and a molecular weight of 223.71 g/mol. Its IUPAC name is 3-(7-chloro-3H-benzimidazol-5-yl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name3-(7-chloro-3H-benzimidazol-5-yl)-2-methylpropan-1-amine
PubChem CID83891497
Molecular FormulaC11H14ClN3
Molecular Weight223.71 g/mol
Exact Mass223.09
IUPAC Name3-(7-chloro-3H-benzimidazol-5-yl)-2-methylpropan-1-amine
SMILESCC(CN)Cc1cc(Cl)c2nc[nH]c2c1
InChIInChI=1S/C11H14ClN3/c1-7(5-13)2-8-3-9(12)11-10(4-8)14-6-15-11/h3-4,6-7H,2,5,13H2,1H3,(H,14,15)
InChIKeyKXAGZEUSONEIGT-UHFFFAOYSA-N
XLogP2.35
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.71
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(7-chloro-3H-benzimidazol-5-yl)-2-methylpropan-1-amine?
The IUPAC name of 3-(7-chloro-3H-benzimidazol-5-yl)-2-methylpropan-1-amine (CID 83891497) is 3-(7-chloro-3H-benzimidazol-5-yl)-2-methylpropan-1-amine.
What is the SMILES notation for 3-(7-chloro-3H-benzimidazol-5-yl)-2-methylpropan-1-amine?
The canonical SMILES for 3-(7-chloro-3H-benzimidazol-5-yl)-2-methylpropan-1-amine is CC(CN)Cc1cc(Cl)c2nc[nH]c2c1.
What is the InChIKey of 3-(7-chloro-3H-benzimidazol-5-yl)-2-methylpropan-1-amine?
The InChIKey is KXAGZEUSONEIGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3/c1-7(5-13)2-8-3-9(12)11-10(4-8)14-6-15-11/h3-4,6-7H,2,5,13H2,1H3,(H,14,15).
What are the key properties of 3-(7-chloro-3H-benzimidazol-5-yl)-2-methylpropan-1-amine?
3-(7-chloro-3H-benzimidazol-5-yl)-2-methylpropan-1-amine has a molecular weight of 223.71 g/mol, XLogP of 2.35, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-chloro-3H-benzimidazol-5-yl)-2-methylpropan-1-amine is sourced from PubChem (CID 83891497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).