6-chloro-1H-benzimidazol-2-amine

C7H6ClN3 — CID 21527

IUPAC6-chloro-1H-benzimidazol-2-amine
SMILESNc1nc2ccc(Cl)cc2[nH]1
InChIInChI=1S/C7H6ClN3/c8-4-1-2-5-6(3-4)11-7(9)10-5/h1-3H,(H3,9,10,11)
InChIKeyPDOCNPCPPLPXRV-UHFFFAOYSA-N
MW167.60 g/mol
LogP1.80
Rot. Bonds

About 6-chloro-1H-benzimidazol-2-amine

6-chloro-1H-benzimidazol-2-amine (PubChem CID 21527) has the molecular formula C7H6ClN3 and a molecular weight of 167.60 g/mol. Its IUPAC name is 6-chloro-1H-benzimidazol-2-amine.

Molecular Properties

Compound Name6-chloro-1H-benzimidazol-2-amine
PubChem CID21527
Molecular FormulaC7H6ClN3
Molecular Weight167.60 g/mol
Exact Mass167.03
IUPAC Name6-chloro-1H-benzimidazol-2-amine
SMILESNc1nc2ccc(Cl)cc2[nH]1
InChIInChI=1S/C7H6ClN3/c8-4-1-2-5-6(3-4)11-7(9)10-5/h1-3H,(H3,9,10,11)
InChIKeyPDOCNPCPPLPXRV-UHFFFAOYSA-N
XLogP1.80
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.60
LogP ≤ 51.80
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-amine?
The IUPAC name of 6-chloro-1H-benzimidazol-2-amine (CID 21527) is 6-chloro-1H-benzimidazol-2-amine.
What is the SMILES notation for 6-chloro-1H-benzimidazol-2-amine?
The canonical SMILES for 6-chloro-1H-benzimidazol-2-amine is Nc1nc2ccc(Cl)cc2[nH]1.
What is the InChIKey of 6-chloro-1H-benzimidazol-2-amine?
The InChIKey is PDOCNPCPPLPXRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClN3/c8-4-1-2-5-6(3-4)11-7(9)10-5/h1-3H,(H3,9,10,11).
What are the key properties of 6-chloro-1H-benzimidazol-2-amine?
6-chloro-1H-benzimidazol-2-amine has a molecular weight of 167.60 g/mol, XLogP of 1.80, 0 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-amine is sourced from PubChem (CID 21527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).