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

C14H16ClN5 — CID 86794365

IUPAC5-chloro-1-ethyl-N-[(2-methylpyrazol-3-yl)methyl]benzimidazol-2-amine
SMILESCCn1c(NCc2ccnn2C)nc2cc(Cl)ccc21
InChIInChI=1S/C14H16ClN5/c1-3-20-13-5-4-10(15)8-12(13)18-14(20)16-9-11-6-7-17-19(11)2/h4-8H,3,9H2,1-2H3,(H,16,18)
InChIKeyRCSBIUNDBWYGLA-UHFFFAOYSA-N
MW289.77 g/mol
LogP3.06
Rot. Bonds4

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

5-chloro-1-ethyl-N-[(2-methylpyrazol-3-yl)methyl]benzimidazol-2-amine (PubChem CID 86794365) has the molecular formula C14H16ClN5 and a molecular weight of 289.77 g/mol. Its IUPAC name is 5-chloro-1-ethyl-N-[(2-methylpyrazol-3-yl)methyl]benzimidazol-2-amine.

Molecular Properties

Compound Name5-chloro-1-ethyl-N-[(2-methylpyrazol-3-yl)methyl]benzimidazol-2-amine
PubChem CID86794365
Molecular FormulaC14H16ClN5
Molecular Weight289.77 g/mol
Exact Mass289.11
IUPAC Name5-chloro-1-ethyl-N-[(2-methylpyrazol-3-yl)methyl]benzimidazol-2-amine
SMILESCCn1c(NCc2ccnn2C)nc2cc(Cl)ccc21
InChIInChI=1S/C14H16ClN5/c1-3-20-13-5-4-10(15)8-12(13)18-14(20)16-9-11-6-7-17-19(11)2/h4-8H,3,9H2,1-2H3,(H,16,18)
InChIKeyRCSBIUNDBWYGLA-UHFFFAOYSA-N
XLogP3.06
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.77
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-ethyl-N-[(2-methylpyrazol-3-yl)methyl]benzimidazol-2-amine?
The IUPAC name of 5-chloro-1-ethyl-N-[(2-methylpyrazol-3-yl)methyl]benzimidazol-2-amine (CID 86794365) is 5-chloro-1-ethyl-N-[(2-methylpyrazol-3-yl)methyl]benzimidazol-2-amine.
What is the SMILES notation for 5-chloro-1-ethyl-N-[(2-methylpyrazol-3-yl)methyl]benzimidazol-2-amine?
The canonical SMILES for 5-chloro-1-ethyl-N-[(2-methylpyrazol-3-yl)methyl]benzimidazol-2-amine is CCn1c(NCc2ccnn2C)nc2cc(Cl)ccc21.
What is the InChIKey of 5-chloro-1-ethyl-N-[(2-methylpyrazol-3-yl)methyl]benzimidazol-2-amine?
The InChIKey is RCSBIUNDBWYGLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN5/c1-3-20-13-5-4-10(15)8-12(13)18-14(20)16-9-11-6-7-17-19(11)2/h4-8H,3,9H2,1-2H3,(H,16,18).
What are the key properties of 5-chloro-1-ethyl-N-[(2-methylpyrazol-3-yl)methyl]benzimidazol-2-amine?
5-chloro-1-ethyl-N-[(2-methylpyrazol-3-yl)methyl]benzimidazol-2-amine has a molecular weight of 289.77 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-ethyl-N-[(2-methylpyrazol-3-yl)methyl]benzimidazol-2-amine is sourced from PubChem (CID 86794365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).