6-chloro-1-methylbenzimidazol-2-amine

C8H8ClN3 — CID 10419809

IUPAC6-chloro-1-methylbenzimidazol-2-amine
SMILESCn1c(N)nc2ccc(Cl)cc21
InChIInChI=1S/C8H8ClN3/c1-12-7-4-5(9)2-3-6(7)11-8(12)10/h2-4H,1H3,(H2,10,11)
InChIKeyNSJJFVCJPRXNRE-UHFFFAOYSA-N
MW181.63 g/mol
LogP1.81
Rot. Bonds

About 6-chloro-1-methylbenzimidazol-2-amine

6-chloro-1-methylbenzimidazol-2-amine (PubChem CID 10419809) has the molecular formula C8H8ClN3 and a molecular weight of 181.63 g/mol. Its IUPAC name is 6-chloro-1-methylbenzimidazol-2-amine.

Molecular Properties

Compound Name6-chloro-1-methylbenzimidazol-2-amine
PubChem CID10419809
Molecular FormulaC8H8ClN3
Molecular Weight181.63 g/mol
Exact Mass181.04
IUPAC Name6-chloro-1-methylbenzimidazol-2-amine
SMILESCn1c(N)nc2ccc(Cl)cc21
InChIInChI=1S/C8H8ClN3/c1-12-7-4-5(9)2-3-6(7)11-8(12)10/h2-4H,1H3,(H2,10,11)
InChIKeyNSJJFVCJPRXNRE-UHFFFAOYSA-N
XLogP1.81
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.63
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-methylbenzimidazol-2-amine?
The IUPAC name of 6-chloro-1-methylbenzimidazol-2-amine (CID 10419809) is 6-chloro-1-methylbenzimidazol-2-amine.
What is the SMILES notation for 6-chloro-1-methylbenzimidazol-2-amine?
The canonical SMILES for 6-chloro-1-methylbenzimidazol-2-amine is Cn1c(N)nc2ccc(Cl)cc21.
What is the InChIKey of 6-chloro-1-methylbenzimidazol-2-amine?
The InChIKey is NSJJFVCJPRXNRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN3/c1-12-7-4-5(9)2-3-6(7)11-8(12)10/h2-4H,1H3,(H2,10,11).
What are the key properties of 6-chloro-1-methylbenzimidazol-2-amine?
6-chloro-1-methylbenzimidazol-2-amine has a molecular weight of 181.63 g/mol, XLogP of 1.81, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-methylbenzimidazol-2-amine is sourced from PubChem (CID 10419809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).