7-chloro-1-(1,3-dimethylpyrazol-4-yl)benzimidazol-2-amine

C12H12ClN5 — CID 102806317

IUPAC7-chloro-1-(1,3-dimethylpyrazol-4-yl)benzimidazol-2-amine
SMILESCc1nn(C)cc1-n1c(N)nc2cccc(Cl)c21
InChIInChI=1S/C12H12ClN5/c1-7-10(6-17(2)16-7)18-11-8(13)4-3-5-9(11)15-12(18)14/h3-6H,1-2H3,(H2,14,15)
InChIKeyJGYLLPUMSHTPDR-UHFFFAOYSA-N
MW261.72 g/mol
LogP2.30
Rot. Bonds1

About 7-chloro-1-(1,3-dimethylpyrazol-4-yl)benzimidazol-2-amine

7-chloro-1-(1,3-dimethylpyrazol-4-yl)benzimidazol-2-amine (PubChem CID 102806317) has the molecular formula C12H12ClN5 and a molecular weight of 261.72 g/mol. Its IUPAC name is 7-chloro-1-(1,3-dimethylpyrazol-4-yl)benzimidazol-2-amine.

Molecular Properties

Compound Name7-chloro-1-(1,3-dimethylpyrazol-4-yl)benzimidazol-2-amine
PubChem CID102806317
Molecular FormulaC12H12ClN5
Molecular Weight261.72 g/mol
Exact Mass261.08
IUPAC Name7-chloro-1-(1,3-dimethylpyrazol-4-yl)benzimidazol-2-amine
SMILESCc1nn(C)cc1-n1c(N)nc2cccc(Cl)c21
InChIInChI=1S/C12H12ClN5/c1-7-10(6-17(2)16-7)18-11-8(13)4-3-5-9(11)15-12(18)14/h3-6H,1-2H3,(H2,14,15)
InChIKeyJGYLLPUMSHTPDR-UHFFFAOYSA-N
XLogP2.30
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.72
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-chloro-1-(2-chlorophenyl)benzimidazol-2-amine
CID 43661829
7-chloro-1-(2,3-dichlorophenyl)benzimidazol-2-amine
CID 43661869
7-chloro-1-(5-chloro-2-fluorophenyl)benzimidazol-2-amine
CID 43662097
1-(4-bromo-2,3-dichlorophenyl)-7-chlorobenzimidazol-2-amine
CID 107791619
7-methyl-1-(2,4,5-trichlorophenyl)benzimidazol-2-amine
CID 115552270
7-chlorobenzimidazole-1,2-diamine
CID 84618531
7-chloro-1-(3,5-dichloro-4-fluorophenyl)benzimidazol-2-amine
CID 107575892
1-(1,3-dimethylpyrazol-4-yl)-4-fluorobenzimidazol-2-amine
CID 102806335
7-chloro-1-(3-methylsulfanylphenyl)benzimidazol-2-amine
CID 43661717
7-chloro-1-cyclopentylbenzimidazol-2-amine
CID 43661582
1-(4-chloro-2-fluorophenyl)-7-methylbenzimidazol-2-amine
CID 115552345
7-chloro-1-[(4S)-1-methylazepan-4-yl]benzimidazol-2-amine
CID 156742611

Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-(1,3-dimethylpyrazol-4-yl)benzimidazol-2-amine?
The IUPAC name of 7-chloro-1-(1,3-dimethylpyrazol-4-yl)benzimidazol-2-amine (CID 102806317) is 7-chloro-1-(1,3-dimethylpyrazol-4-yl)benzimidazol-2-amine.
What is the SMILES notation for 7-chloro-1-(1,3-dimethylpyrazol-4-yl)benzimidazol-2-amine?
The canonical SMILES for 7-chloro-1-(1,3-dimethylpyrazol-4-yl)benzimidazol-2-amine is Cc1nn(C)cc1-n1c(N)nc2cccc(Cl)c21.
What is the InChIKey of 7-chloro-1-(1,3-dimethylpyrazol-4-yl)benzimidazol-2-amine?
The InChIKey is JGYLLPUMSHTPDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN5/c1-7-10(6-17(2)16-7)18-11-8(13)4-3-5-9(11)15-12(18)14/h3-6H,1-2H3,(H2,14,15).
What are the key properties of 7-chloro-1-(1,3-dimethylpyrazol-4-yl)benzimidazol-2-amine?
7-chloro-1-(1,3-dimethylpyrazol-4-yl)benzimidazol-2-amine has a molecular weight of 261.72 g/mol, XLogP of 2.30, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-(1,3-dimethylpyrazol-4-yl)benzimidazol-2-amine is sourced from PubChem (CID 102806317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).