4-(7-chloro-1-methylbenzimidazol-2-yl)-1H-pyrazol-5-amine

C11H10ClN5 — CID 54920303

IUPAC4-(7-chloro-1-methylbenzimidazol-2-yl)-1H-pyrazol-5-amine
SMILESCn1c(-c2cn[nH]c2N)nc2cccc(Cl)c21
InChIInChI=1S/C11H10ClN5/c1-17-9-7(12)3-2-4-8(9)15-11(17)6-5-14-16-10(6)13/h2-5H,1H3,(H3,13,14,16)
InChIKeyLGJCOHQVFACZLU-UHFFFAOYSA-N
MW247.69 g/mol
LogP2.20
Rot. Bonds1

About 4-(7-chloro-1-methylbenzimidazol-2-yl)-1H-pyrazol-5-amine

4-(7-chloro-1-methylbenzimidazol-2-yl)-1H-pyrazol-5-amine (PubChem CID 54920303) has the molecular formula C11H10ClN5 and a molecular weight of 247.69 g/mol. Its IUPAC name is 4-(7-chloro-1-methylbenzimidazol-2-yl)-1H-pyrazol-5-amine.

Molecular Properties

Compound Name4-(7-chloro-1-methylbenzimidazol-2-yl)-1H-pyrazol-5-amine
PubChem CID54920303
Molecular FormulaC11H10ClN5
Molecular Weight247.69 g/mol
Exact Mass247.06
IUPAC Name4-(7-chloro-1-methylbenzimidazol-2-yl)-1H-pyrazol-5-amine
SMILESCn1c(-c2cn[nH]c2N)nc2cccc(Cl)c21
InChIInChI=1S/C11H10ClN5/c1-17-9-7(12)3-2-4-8(9)15-11(17)6-5-14-16-10(6)13/h2-5H,1H3,(H3,13,14,16)
InChIKeyLGJCOHQVFACZLU-UHFFFAOYSA-N
XLogP2.20
TPSA72.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.69
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-Amino-6-Methyl-1,3,5-Triazin-2-Yl)-N-(1h-Pyrazol-3-Yl)-1h-Benzimidazol-2-Amine
CID 46892845
2-(1-methyl-1H-pyrazol-4-yl)-1H-benzimidazole
CID 16227558
2-(5-methyl-1H-pyrazol-4-yl)-1H-benzimidazole
CID 8002817
4-[4-(3-chlorophenyl)piperazin-1-yl]-1H-pyrazolo[3,4-d]pyrimidine
CID 2422329
1-(4-methyl-6-(methylamino)-1,3,5-triazin-2-yl)-N-(1H-pyrazol-3-yl)-1H-benzo[d]imidazol-2-amine
CID 53242225
2-N-[(4-chloro-1H-benzimidazol-5-yl)methyl]-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-methylpyrimidine-2,4-diamine
CID 71528975
5-[4-chloro-1-[(1-ethylpyrazol-3-yl)methyl]benzimidazol-2-yl]-N,N-diethylpyridin-2-amine
CID 137551172
N-[(E)-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylideneamino]-1H-benzimidazol-2-amine
CID 9677328
N-[(E)-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylideneamino]-1-methylbenzimidazol-2-amine
CID 9681611
[1-(3-Chlorophenyl)pyrazolo[4,5-e]pyrimidin-4-yl](3-imidazolylpropyl)amine
CID 16033914
4-(1-Ethyl-1H-imidazo[4,5-c]pyridin-2-yl)-5-methyl-1H-pyrazol-3-ylamine
CID 44397421
3-(6-chloro-1H-benzimidazol-2-yl)-5-(1H-pyrazol-4-yl)pyridin-2-amine
CID 44525866

Frequently Asked Questions

What is the IUPAC name of 4-(7-chloro-1-methylbenzimidazol-2-yl)-1H-pyrazol-5-amine?
The IUPAC name of 4-(7-chloro-1-methylbenzimidazol-2-yl)-1H-pyrazol-5-amine (CID 54920303) is 4-(7-chloro-1-methylbenzimidazol-2-yl)-1H-pyrazol-5-amine.
What is the SMILES notation for 4-(7-chloro-1-methylbenzimidazol-2-yl)-1H-pyrazol-5-amine?
The canonical SMILES for 4-(7-chloro-1-methylbenzimidazol-2-yl)-1H-pyrazol-5-amine is Cn1c(-c2cn[nH]c2N)nc2cccc(Cl)c21.
What is the InChIKey of 4-(7-chloro-1-methylbenzimidazol-2-yl)-1H-pyrazol-5-amine?
The InChIKey is LGJCOHQVFACZLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN5/c1-17-9-7(12)3-2-4-8(9)15-11(17)6-5-14-16-10(6)13/h2-5H,1H3,(H3,13,14,16).
What are the key properties of 4-(7-chloro-1-methylbenzimidazol-2-yl)-1H-pyrazol-5-amine?
4-(7-chloro-1-methylbenzimidazol-2-yl)-1H-pyrazol-5-amine has a molecular weight of 247.69 g/mol, XLogP of 2.20, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-chloro-1-methylbenzimidazol-2-yl)-1H-pyrazol-5-amine is sourced from PubChem (CID 54920303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).