4-chloro-N-[[2-(1-methylpyrazol-3-yl)-1,3-thiazol-4-yl]methyl]-1H-benzimidazol-2-amine

C15H13ClN6S — CID 167920087

IUPAC4-chloro-N-[[2-(1-methylpyrazol-3-yl)-1,3-thiazol-4-yl]methyl]-1H-benzimidazol-2-amine
SMILESCn1ccc(-c2nc(CNc3nc4c(Cl)cccc4[nH]3)cs2)n1
InChIInChI=1S/C15H13ClN6S/c1-22-6-5-12(21-22)14-18-9(8-23-14)7-17-15-19-11-4-2-3-10(16)13(11)20-15/h2-6,8H,7H2,1H3,(H2,17,19,20)
InChIKeyRRKASJOSOQIIPR-UHFFFAOYSA-N
MW344.83 g/mol
LogP3.69
Rot. Bonds4

About 4-chloro-N-[[2-(1-methylpyrazol-3-yl)-1,3-thiazol-4-yl]methyl]-1H-benzimidazol-2-amine

4-chloro-N-[[2-(1-methylpyrazol-3-yl)-1,3-thiazol-4-yl]methyl]-1H-benzimidazol-2-amine (PubChem CID 167920087) has the molecular formula C15H13ClN6S and a molecular weight of 344.83 g/mol. Its IUPAC name is 4-chloro-N-[[2-(1-methylpyrazol-3-yl)-1,3-thiazol-4-yl]methyl]-1H-benzimidazol-2-amine.

Molecular Properties

Compound Name4-chloro-N-[[2-(1-methylpyrazol-3-yl)-1,3-thiazol-4-yl]methyl]-1H-benzimidazol-2-amine
PubChem CID167920087
Molecular FormulaC15H13ClN6S
Molecular Weight344.83 g/mol
Exact Mass344.06
IUPAC Name4-chloro-N-[[2-(1-methylpyrazol-3-yl)-1,3-thiazol-4-yl]methyl]-1H-benzimidazol-2-amine
SMILESCn1ccc(-c2nc(CNc3nc4c(Cl)cccc4[nH]3)cs2)n1
InChIInChI=1S/C15H13ClN6S/c1-22-6-5-12(21-22)14-18-9(8-23-14)7-17-15-19-11-4-2-3-10(16)13(11)20-15/h2-6,8H,7H2,1H3,(H2,17,19,20)
InChIKeyRRKASJOSOQIIPR-UHFFFAOYSA-N
XLogP3.69
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.83
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[[2-(1-methylpyrazol-3-yl)-1,3-thiazol-4-yl]methyl]-1H-benzimidazol-2-amine?
The IUPAC name of 4-chloro-N-[[2-(1-methylpyrazol-3-yl)-1,3-thiazol-4-yl]methyl]-1H-benzimidazol-2-amine (CID 167920087) is 4-chloro-N-[[2-(1-methylpyrazol-3-yl)-1,3-thiazol-4-yl]methyl]-1H-benzimidazol-2-amine.
What is the SMILES notation for 4-chloro-N-[[2-(1-methylpyrazol-3-yl)-1,3-thiazol-4-yl]methyl]-1H-benzimidazol-2-amine?
The canonical SMILES for 4-chloro-N-[[2-(1-methylpyrazol-3-yl)-1,3-thiazol-4-yl]methyl]-1H-benzimidazol-2-amine is Cn1ccc(-c2nc(CNc3nc4c(Cl)cccc4[nH]3)cs2)n1.
What is the InChIKey of 4-chloro-N-[[2-(1-methylpyrazol-3-yl)-1,3-thiazol-4-yl]methyl]-1H-benzimidazol-2-amine?
The InChIKey is RRKASJOSOQIIPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN6S/c1-22-6-5-12(21-22)14-18-9(8-23-14)7-17-15-19-11-4-2-3-10(16)13(11)20-15/h2-6,8H,7H2,1H3,(H2,17,19,20).
What are the key properties of 4-chloro-N-[[2-(1-methylpyrazol-3-yl)-1,3-thiazol-4-yl]methyl]-1H-benzimidazol-2-amine?
4-chloro-N-[[2-(1-methylpyrazol-3-yl)-1,3-thiazol-4-yl]methyl]-1H-benzimidazol-2-amine has a molecular weight of 344.83 g/mol, XLogP of 3.69, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[[2-(1-methylpyrazol-3-yl)-1,3-thiazol-4-yl]methyl]-1H-benzimidazol-2-amine is sourced from PubChem (CID 167920087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).