(6-chloro-1H-benzimidazol-2-yl)methanamine

C8H8ClN3 — CID 6484117

IUPAC(6-chloro-1H-benzimidazol-2-yl)methanamine
SMILESNCc1nc2ccc(Cl)cc2[nH]1
InChIInChI=1S/C8H8ClN3/c9-5-1-2-6-7(3-5)12-8(4-10)11-6/h1-3H,4,10H2,(H,11,12)
InChIKeyWVBPEUGZSSDGPT-UHFFFAOYSA-N
MW181.63 g/mol
LogP1.67
Rot. Bonds1

About (6-chloro-1H-benzimidazol-2-yl)methanamine

(6-chloro-1H-benzimidazol-2-yl)methanamine (PubChem CID 6484117) has the molecular formula C8H8ClN3 and a molecular weight of 181.63 g/mol. Its IUPAC name is (6-chloro-1H-benzimidazol-2-yl)methanamine.

Molecular Properties

Compound Name(6-chloro-1H-benzimidazol-2-yl)methanamine
PubChem CID6484117
Molecular FormulaC8H8ClN3
Molecular Weight181.63 g/mol
Exact Mass181.04
IUPAC Name(6-chloro-1H-benzimidazol-2-yl)methanamine
SMILESNCc1nc2ccc(Cl)cc2[nH]1
InChIInChI=1S/C8H8ClN3/c9-5-1-2-6-7(3-5)12-8(4-10)11-6/h1-3H,4,10H2,(H,11,12)
InChIKeyWVBPEUGZSSDGPT-UHFFFAOYSA-N
XLogP1.67
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.63
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6-chloro-1H-benzimidazol-2-yl)methanamine?
The IUPAC name of (6-chloro-1H-benzimidazol-2-yl)methanamine (CID 6484117) is (6-chloro-1H-benzimidazol-2-yl)methanamine.
What is the SMILES notation for (6-chloro-1H-benzimidazol-2-yl)methanamine?
The canonical SMILES for (6-chloro-1H-benzimidazol-2-yl)methanamine is NCc1nc2ccc(Cl)cc2[nH]1.
What is the InChIKey of (6-chloro-1H-benzimidazol-2-yl)methanamine?
The InChIKey is WVBPEUGZSSDGPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN3/c9-5-1-2-6-7(3-5)12-8(4-10)11-6/h1-3H,4,10H2,(H,11,12).
What are the key properties of (6-chloro-1H-benzimidazol-2-yl)methanamine?
(6-chloro-1H-benzimidazol-2-yl)methanamine has a molecular weight of 181.63 g/mol, XLogP of 1.67, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-1H-benzimidazol-2-yl)methanamine is sourced from PubChem (CID 6484117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).