[2-(2,5-dimethylpyrazol-3-yl)-1-ethylbenzimidazol-5-yl]methanamine

C15H19N5 — CID 66127163

IUPAC[2-(2,5-dimethylpyrazol-3-yl)-1-ethylbenzimidazol-5-yl]methanamine
SMILESCCn1c(-c2cc(C)nn2C)nc2cc(CN)ccc21
InChIInChI=1S/C15H19N5/c1-4-20-13-6-5-11(9-16)8-12(13)17-15(20)14-7-10(2)18-19(14)3/h5-8H,4,9,16H2,1-3H3
InChIKeyZMBGLTRZVSQISV-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.22
Rot. Bonds3

About [2-(2,5-dimethylpyrazol-3-yl)-1-ethylbenzimidazol-5-yl]methanamine

[2-(2,5-dimethylpyrazol-3-yl)-1-ethylbenzimidazol-5-yl]methanamine (PubChem CID 66127163) has the molecular formula C15H19N5 and a molecular weight of 269.35 g/mol. Its IUPAC name is [2-(2,5-dimethylpyrazol-3-yl)-1-ethylbenzimidazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-(2,5-dimethylpyrazol-3-yl)-1-ethylbenzimidazol-5-yl]methanamine
PubChem CID66127163
Molecular FormulaC15H19N5
Molecular Weight269.35 g/mol
Exact Mass269.16
IUPAC Name[2-(2,5-dimethylpyrazol-3-yl)-1-ethylbenzimidazol-5-yl]methanamine
SMILESCCn1c(-c2cc(C)nn2C)nc2cc(CN)ccc21
InChIInChI=1S/C15H19N5/c1-4-20-13-6-5-11(9-16)8-12(13)17-15(20)14-7-10(2)18-19(14)3/h5-8H,4,9,16H2,1-3H3
InChIKeyZMBGLTRZVSQISV-UHFFFAOYSA-N
XLogP2.22
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(2,5-dimethylpyrazol-3-yl)-1-ethylbenzimidazol-5-yl]methanamine?
The IUPAC name of [2-(2,5-dimethylpyrazol-3-yl)-1-ethylbenzimidazol-5-yl]methanamine (CID 66127163) is [2-(2,5-dimethylpyrazol-3-yl)-1-ethylbenzimidazol-5-yl]methanamine.
What is the SMILES notation for [2-(2,5-dimethylpyrazol-3-yl)-1-ethylbenzimidazol-5-yl]methanamine?
The canonical SMILES for [2-(2,5-dimethylpyrazol-3-yl)-1-ethylbenzimidazol-5-yl]methanamine is CCn1c(-c2cc(C)nn2C)nc2cc(CN)ccc21.
What is the InChIKey of [2-(2,5-dimethylpyrazol-3-yl)-1-ethylbenzimidazol-5-yl]methanamine?
The InChIKey is ZMBGLTRZVSQISV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5/c1-4-20-13-6-5-11(9-16)8-12(13)17-15(20)14-7-10(2)18-19(14)3/h5-8H,4,9,16H2,1-3H3.
What are the key properties of [2-(2,5-dimethylpyrazol-3-yl)-1-ethylbenzimidazol-5-yl]methanamine?
[2-(2,5-dimethylpyrazol-3-yl)-1-ethylbenzimidazol-5-yl]methanamine has a molecular weight of 269.35 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,5-dimethylpyrazol-3-yl)-1-ethylbenzimidazol-5-yl]methanamine is sourced from PubChem (CID 66127163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).