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

C10H12ClN3 — CID 83884805

IUPAC3-(7-chloro-3H-benzimidazol-5-yl)propan-1-amine
SMILESNCCCc1cc(Cl)c2nc[nH]c2c1
InChIInChI=1S/C10H12ClN3/c11-8-4-7(2-1-3-12)5-9-10(8)14-6-13-9/h4-6H,1-3,12H2,(H,13,14)
InChIKeyDOOVOSYYRCAAAE-UHFFFAOYSA-N
MW209.68 g/mol
LogP2.11
Rot. Bonds3

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

3-(7-chloro-3H-benzimidazol-5-yl)propan-1-amine (PubChem CID 83884805) has the molecular formula C10H12ClN3 and a molecular weight of 209.68 g/mol. Its IUPAC name is 3-(7-chloro-3H-benzimidazol-5-yl)propan-1-amine.

Molecular Properties

Compound Name3-(7-chloro-3H-benzimidazol-5-yl)propan-1-amine
PubChem CID83884805
Molecular FormulaC10H12ClN3
Molecular Weight209.68 g/mol
Exact Mass209.07
IUPAC Name3-(7-chloro-3H-benzimidazol-5-yl)propan-1-amine
SMILESNCCCc1cc(Cl)c2nc[nH]c2c1
InChIInChI=1S/C10H12ClN3/c11-8-4-7(2-1-3-12)5-9-10(8)14-6-13-9/h4-6H,1-3,12H2,(H,13,14)
InChIKeyDOOVOSYYRCAAAE-UHFFFAOYSA-N
XLogP2.11
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.68
LogP ≤ 52.11
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)propan-1-amine?
The IUPAC name of 3-(7-chloro-3H-benzimidazol-5-yl)propan-1-amine (CID 83884805) is 3-(7-chloro-3H-benzimidazol-5-yl)propan-1-amine.
What is the SMILES notation for 3-(7-chloro-3H-benzimidazol-5-yl)propan-1-amine?
The canonical SMILES for 3-(7-chloro-3H-benzimidazol-5-yl)propan-1-amine is NCCCc1cc(Cl)c2nc[nH]c2c1.
What is the InChIKey of 3-(7-chloro-3H-benzimidazol-5-yl)propan-1-amine?
The InChIKey is DOOVOSYYRCAAAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3/c11-8-4-7(2-1-3-12)5-9-10(8)14-6-13-9/h4-6H,1-3,12H2,(H,13,14).
What are the key properties of 3-(7-chloro-3H-benzimidazol-5-yl)propan-1-amine?
3-(7-chloro-3H-benzimidazol-5-yl)propan-1-amine has a molecular weight of 209.68 g/mol, XLogP of 2.11, 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)propan-1-amine is sourced from PubChem (CID 83884805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).