5-chloro-4-methylbenzimidazole-1,2-diamine

C8H9ClN4 — CID 84619445

IUPAC5-chloro-4-methylbenzimidazole-1,2-diamine
SMILESCc1c(Cl)ccc2c1nc(N)n2N
InChIInChI=1S/C8H9ClN4/c1-4-5(9)2-3-6-7(4)12-8(10)13(6)11/h2-3H,11H2,1H3,(H2,10,12)
InChIKeyYPGJFIYZCPVPJE-UHFFFAOYSA-N
MW196.64 g/mol
LogP1.29
Rot. Bonds

About 5-chloro-4-methylbenzimidazole-1,2-diamine

5-chloro-4-methylbenzimidazole-1,2-diamine (PubChem CID 84619445) has the molecular formula C8H9ClN4 and a molecular weight of 196.64 g/mol. Its IUPAC name is 5-chloro-4-methylbenzimidazole-1,2-diamine.

Molecular Properties

Compound Name5-chloro-4-methylbenzimidazole-1,2-diamine
PubChem CID84619445
Molecular FormulaC8H9ClN4
Molecular Weight196.64 g/mol
Exact Mass196.05
IUPAC Name5-chloro-4-methylbenzimidazole-1,2-diamine
SMILESCc1c(Cl)ccc2c1nc(N)n2N
InChIInChI=1S/C8H9ClN4/c1-4-5(9)2-3-6-7(4)12-8(10)13(6)11/h2-3H,11H2,1H3,(H2,10,12)
InChIKeyYPGJFIYZCPVPJE-UHFFFAOYSA-N
XLogP1.29
TPSA69.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.64
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-chloro-1,4-dimethylbenzimidazol-2-yl)propan-2-amine
CID 84629014
5-chloro-4-methyl-1,3-benzothiazol-2-amine
CID 1180481
5-chloro-4-methyl-1H-benzimidazol-2-amine
CID 84618510
2,7-dichloro-8-methylquinoline
CID 53217380
5-(3-chloro-2-methylphenyl)-1,2,4-triazole-3,4-diamine
CID 107096246
4-chloro-1-(2-chloro-6-methylphenyl)benzimidazol-2-amine
CID 104837184
N-[2-(5-chloro-1,4-dimethylbenzimidazol-2-yl)ethyl]cyclopropanamine
CID 84639383
7-chlorobenzimidazole-1,2-diamine
CID 84618531
6-chloro-2,3,7-trimethylindazole
CID 59514075
7-chloro-2,4,8-trimethylquinoline;ethane
CID 170974379
1-chloro-6-methylimidazo[1,5-a]pyridin-3-amine
CID 83869582
1-(3-chloro-2-methylphenyl)-4-methylimidazol-2-amine
CID 106556328

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-methylbenzimidazole-1,2-diamine?
The IUPAC name of 5-chloro-4-methylbenzimidazole-1,2-diamine (CID 84619445) is 5-chloro-4-methylbenzimidazole-1,2-diamine.
What is the SMILES notation for 5-chloro-4-methylbenzimidazole-1,2-diamine?
The canonical SMILES for 5-chloro-4-methylbenzimidazole-1,2-diamine is Cc1c(Cl)ccc2c1nc(N)n2N.
What is the InChIKey of 5-chloro-4-methylbenzimidazole-1,2-diamine?
The InChIKey is YPGJFIYZCPVPJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN4/c1-4-5(9)2-3-6-7(4)12-8(10)13(6)11/h2-3H,11H2,1H3,(H2,10,12).
What are the key properties of 5-chloro-4-methylbenzimidazole-1,2-diamine?
5-chloro-4-methylbenzimidazole-1,2-diamine has a molecular weight of 196.64 g/mol, XLogP of 1.29, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-methylbenzimidazole-1,2-diamine is sourced from PubChem (CID 84619445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).