5-chloro-4-methyl-1H-benzimidazol-2-amine

C8H8ClN3 — CID 84618510

IUPAC5-chloro-4-methyl-1H-benzimidazol-2-amine
SMILESCc1c(Cl)ccc2[nH]c(N)nc12
InChIInChI=1S/C8H8ClN3/c1-4-5(9)2-3-6-7(4)12-8(10)11-6/h2-3H,1H3,(H3,10,11,12)
InChIKeyQGNSIPPFPNFDTD-UHFFFAOYSA-N
MW181.63 g/mol
LogP2.11
Rot. Bonds

About 5-chloro-4-methyl-1H-benzimidazol-2-amine

5-chloro-4-methyl-1H-benzimidazol-2-amine (PubChem CID 84618510) has the molecular formula C8H8ClN3 and a molecular weight of 181.63 g/mol. Its IUPAC name is 5-chloro-4-methyl-1H-benzimidazol-2-amine.

Molecular Properties

Compound Name5-chloro-4-methyl-1H-benzimidazol-2-amine
PubChem CID84618510
Molecular FormulaC8H8ClN3
Molecular Weight181.63 g/mol
Exact Mass181.04
IUPAC Name5-chloro-4-methyl-1H-benzimidazol-2-amine
SMILESCc1c(Cl)ccc2[nH]c(N)nc12
InChIInChI=1S/C8H8ClN3/c1-4-5(9)2-3-6-7(4)12-8(10)11-6/h2-3H,1H3,(H3,10,11,12)
InChIKeyQGNSIPPFPNFDTD-UHFFFAOYSA-N
XLogP2.11
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.63
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-methyl-1H-benzimidazol-2-amine?
The IUPAC name of 5-chloro-4-methyl-1H-benzimidazol-2-amine (CID 84618510) is 5-chloro-4-methyl-1H-benzimidazol-2-amine.
What is the SMILES notation for 5-chloro-4-methyl-1H-benzimidazol-2-amine?
The canonical SMILES for 5-chloro-4-methyl-1H-benzimidazol-2-amine is Cc1c(Cl)ccc2[nH]c(N)nc12.
What is the InChIKey of 5-chloro-4-methyl-1H-benzimidazol-2-amine?
The InChIKey is QGNSIPPFPNFDTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN3/c1-4-5(9)2-3-6-7(4)12-8(10)11-6/h2-3H,1H3,(H3,10,11,12).
What are the key properties of 5-chloro-4-methyl-1H-benzimidazol-2-amine?
5-chloro-4-methyl-1H-benzimidazol-2-amine has a molecular weight of 181.63 g/mol, XLogP of 2.11, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-methyl-1H-benzimidazol-2-amine is sourced from PubChem (CID 84618510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).