4-chloro-1-[2-(2-methylpyrazol-3-yl)ethyl]benzimidazol-2-amine

C13H14ClN5 — CID 103008445

IUPAC4-chloro-1-[2-(2-methylpyrazol-3-yl)ethyl]benzimidazol-2-amine
SMILESCn1nccc1CCn1c(N)nc2c(Cl)cccc21
InChIInChI=1S/C13H14ClN5/c1-18-9(5-7-16-18)6-8-19-11-4-2-3-10(14)12(11)17-13(19)15/h2-5,7H,6,8H2,1H3,(H2,15,17)
InChIKeyGINAEJYQRATODQ-UHFFFAOYSA-N
MW275.74 g/mol
LogP2.25
Rot. Bonds3

About 4-chloro-1-[2-(2-methylpyrazol-3-yl)ethyl]benzimidazol-2-amine

4-chloro-1-[2-(2-methylpyrazol-3-yl)ethyl]benzimidazol-2-amine (PubChem CID 103008445) has the molecular formula C13H14ClN5 and a molecular weight of 275.74 g/mol. Its IUPAC name is 4-chloro-1-[2-(2-methylpyrazol-3-yl)ethyl]benzimidazol-2-amine.

Molecular Properties

Compound Name4-chloro-1-[2-(2-methylpyrazol-3-yl)ethyl]benzimidazol-2-amine
PubChem CID103008445
Molecular FormulaC13H14ClN5
Molecular Weight275.74 g/mol
Exact Mass275.09
IUPAC Name4-chloro-1-[2-(2-methylpyrazol-3-yl)ethyl]benzimidazol-2-amine
SMILESCn1nccc1CCn1c(N)nc2c(Cl)cccc21
InChIInChI=1S/C13H14ClN5/c1-18-9(5-7-16-18)6-8-19-11-4-2-3-10(14)12(11)17-13(19)15/h2-5,7H,6,8H2,1H3,(H2,15,17)
InChIKeyGINAEJYQRATODQ-UHFFFAOYSA-N
XLogP2.25
TPSA61.66 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 ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-fluoro-1-[2-(2-methylpyrazol-3-yl)ethyl]benzimidazol-2-amine
CID 103008397
5-chloro-6-fluoro-1-[2-(2-methylpyrazol-3-yl)ethyl]benzimidazol-2-amine
CID 103008434
4-chloro-1-[2-(2-methylphenyl)ethyl]benzimidazol-2-amine
CID 104837197
4-chloro-1-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]benzimidazol-2-amine
CID 104837217
4-chloro-1-(7-methyloctyl)benzimidazol-2-amine
CID 107816942
4-chloro-1-[(4-ethylphenyl)methyl]benzimidazol-2-amine
CID 106900318
5-bromo-1-[2-(2-methylpyrazol-3-yl)ethyl]benzimidazol-2-amine
CID 103008382
3-(2-amino-4-chlorobenzimidazol-1-yl)propanoic acid
CID 84736899
4-chloro-1-(3-cyclopentylpropyl)benzimidazol-2-amine
CID 106008029
4-chloro-1-(1,2-oxazol-5-ylmethyl)benzimidazol-2-amine
CID 106419843
4-chloro-1-[(5-methylthiophen-2-yl)methyl]benzimidazol-2-amine
CID 104837059
2-(2-amino-4-chlorobenzimidazol-1-yl)acetamide
CID 104836765

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-[2-(2-methylpyrazol-3-yl)ethyl]benzimidazol-2-amine?
The IUPAC name of 4-chloro-1-[2-(2-methylpyrazol-3-yl)ethyl]benzimidazol-2-amine (CID 103008445) is 4-chloro-1-[2-(2-methylpyrazol-3-yl)ethyl]benzimidazol-2-amine.
What is the SMILES notation for 4-chloro-1-[2-(2-methylpyrazol-3-yl)ethyl]benzimidazol-2-amine?
The canonical SMILES for 4-chloro-1-[2-(2-methylpyrazol-3-yl)ethyl]benzimidazol-2-amine is Cn1nccc1CCn1c(N)nc2c(Cl)cccc21.
What is the InChIKey of 4-chloro-1-[2-(2-methylpyrazol-3-yl)ethyl]benzimidazol-2-amine?
The InChIKey is GINAEJYQRATODQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN5/c1-18-9(5-7-16-18)6-8-19-11-4-2-3-10(14)12(11)17-13(19)15/h2-5,7H,6,8H2,1H3,(H2,15,17).
What are the key properties of 4-chloro-1-[2-(2-methylpyrazol-3-yl)ethyl]benzimidazol-2-amine?
4-chloro-1-[2-(2-methylpyrazol-3-yl)ethyl]benzimidazol-2-amine has a molecular weight of 275.74 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-[2-(2-methylpyrazol-3-yl)ethyl]benzimidazol-2-amine is sourced from PubChem (CID 103008445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).