5-chloro-1-methyl-N-[(2-methylpyrazol-3-yl)methyl]benzimidazol-2-amine

C13H14ClN5 — CID 86794349

IUPAC5-chloro-1-methyl-N-[(2-methylpyrazol-3-yl)methyl]benzimidazol-2-amine
SMILESCn1nccc1CNc1nc2cc(Cl)ccc2n1C
InChIInChI=1S/C13H14ClN5/c1-18-12-4-3-9(14)7-11(12)17-13(18)15-8-10-5-6-16-19(10)2/h3-7H,8H2,1-2H3,(H,15,17)
InChIKeyAIHHHDZTLSYNPD-UHFFFAOYSA-N
MW275.74 g/mol
LogP2.57
Rot. Bonds3

About 5-chloro-1-methyl-N-[(2-methylpyrazol-3-yl)methyl]benzimidazol-2-amine

5-chloro-1-methyl-N-[(2-methylpyrazol-3-yl)methyl]benzimidazol-2-amine (PubChem CID 86794349) has the molecular formula C13H14ClN5 and a molecular weight of 275.74 g/mol. Its IUPAC name is 5-chloro-1-methyl-N-[(2-methylpyrazol-3-yl)methyl]benzimidazol-2-amine.

Molecular Properties

Compound Name5-chloro-1-methyl-N-[(2-methylpyrazol-3-yl)methyl]benzimidazol-2-amine
PubChem CID86794349
Molecular FormulaC13H14ClN5
Molecular Weight275.74 g/mol
Exact Mass275.09
IUPAC Name5-chloro-1-methyl-N-[(2-methylpyrazol-3-yl)methyl]benzimidazol-2-amine
SMILESCn1nccc1CNc1nc2cc(Cl)ccc2n1C
InChIInChI=1S/C13H14ClN5/c1-18-12-4-3-9(14)7-11(12)17-13(18)15-8-10-5-6-16-19(10)2/h3-7H,8H2,1-2H3,(H,15,17)
InChIKeyAIHHHDZTLSYNPD-UHFFFAOYSA-N
XLogP2.57
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-1-ethyl-N-[(2-methylpyrazol-3-yl)methyl]benzimidazol-2-amine
CID 86794365
5-chloro-2-fluoro-N-[(2-methylpyrazol-3-yl)methyl]aniline
CID 43663388
5-chloro-2-methyl-N-[(2-methylpyrazol-3-yl)methyl]aniline
CID 43663113
4-chloro-2-N-[(2-methylpyrazol-3-yl)methyl]benzene-1,2-diamine
CID 115468972
5-chloro-2-(2-chloroethyl)-1-[(2-methylpyrazol-3-yl)methyl]benzimidazole
CID 63302249
4-[[(5-chloro-1-methylbenzimidazol-2-yl)amino]methyl]-N-hydroxybenzamide
CID 142463361
6-chloro-N-[(2-methylpyrazol-3-yl)methyl]pyrazin-2-amine
CID 63303385
1-[(5-chloro-1,3-benzothiazol-2-yl)methyl]-2-methyl-3-[(2-methylpyrazol-3-yl)methyl]guanidine
CID 119151683
2-chloro-5-methyl-N-[(2-methylpyrazol-3-yl)methyl]aniline
CID 115877145
3,5-dichloro-6-N-[(2-methylpyrazol-3-yl)methyl]-2-N-propylpyridine-2,6-diamine
CID 102758253
3,5-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]aniline
CID 19619241
6-chloro-2-(2-chloroethyl)-1-[(2-methylpyrazol-3-yl)methyl]benzimidazole
CID 115471520

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-methyl-N-[(2-methylpyrazol-3-yl)methyl]benzimidazol-2-amine?
The IUPAC name of 5-chloro-1-methyl-N-[(2-methylpyrazol-3-yl)methyl]benzimidazol-2-amine (CID 86794349) is 5-chloro-1-methyl-N-[(2-methylpyrazol-3-yl)methyl]benzimidazol-2-amine.
What is the SMILES notation for 5-chloro-1-methyl-N-[(2-methylpyrazol-3-yl)methyl]benzimidazol-2-amine?
The canonical SMILES for 5-chloro-1-methyl-N-[(2-methylpyrazol-3-yl)methyl]benzimidazol-2-amine is Cn1nccc1CNc1nc2cc(Cl)ccc2n1C.
What is the InChIKey of 5-chloro-1-methyl-N-[(2-methylpyrazol-3-yl)methyl]benzimidazol-2-amine?
The InChIKey is AIHHHDZTLSYNPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN5/c1-18-12-4-3-9(14)7-11(12)17-13(18)15-8-10-5-6-16-19(10)2/h3-7H,8H2,1-2H3,(H,15,17).
What are the key properties of 5-chloro-1-methyl-N-[(2-methylpyrazol-3-yl)methyl]benzimidazol-2-amine?
5-chloro-1-methyl-N-[(2-methylpyrazol-3-yl)methyl]benzimidazol-2-amine has a molecular weight of 275.74 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-methyl-N-[(2-methylpyrazol-3-yl)methyl]benzimidazol-2-amine is sourced from PubChem (CID 86794349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).