[2-(1-pyrazol-1-ylethyl)-1H-benzimidazol-4-yl]methanamine

C13H15N5 — CID 114040741

IUPAC[2-(1-pyrazol-1-ylethyl)-1H-benzimidazol-4-yl]methanamine
SMILESCC(c1nc2c(CN)cccc2[nH]1)n1cccn1
InChIInChI=1S/C13H15N5/c1-9(18-7-3-6-15-18)13-16-11-5-2-4-10(8-14)12(11)17-13/h2-7,9H,8,14H2,1H3,(H,16,17)
InChIKeyZWYNYZPWRFLHST-UHFFFAOYSA-N
MW241.30 g/mol
LogP1.83
Rot. Bonds3

About [2-(1-pyrazol-1-ylethyl)-1H-benzimidazol-4-yl]methanamine

[2-(1-pyrazol-1-ylethyl)-1H-benzimidazol-4-yl]methanamine (PubChem CID 114040741) has the molecular formula C13H15N5 and a molecular weight of 241.30 g/mol. Its IUPAC name is [2-(1-pyrazol-1-ylethyl)-1H-benzimidazol-4-yl]methanamine.

Molecular Properties

Compound Name[2-(1-pyrazol-1-ylethyl)-1H-benzimidazol-4-yl]methanamine
PubChem CID114040741
Molecular FormulaC13H15N5
Molecular Weight241.30 g/mol
Exact Mass241.13
IUPAC Name[2-(1-pyrazol-1-ylethyl)-1H-benzimidazol-4-yl]methanamine
SMILESCC(c1nc2c(CN)cccc2[nH]1)n1cccn1
InChIInChI=1S/C13H15N5/c1-9(18-7-3-6-15-18)13-16-11-5-2-4-10(8-14)12(11)17-13/h2-7,9H,8,14H2,1H3,(H,16,17)
InChIKeyZWYNYZPWRFLHST-UHFFFAOYSA-N
XLogP1.83
TPSA72.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.30
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1H-benzimidazol-4-yl]methanamine
CID 103311170
[4-(aminomethyl)-1H-benzimidazol-2-yl]-phenylmethanol
CID 104721149
[2-[methoxy(phenyl)methyl]-1H-benzimidazol-4-yl]methanamine
CID 104721312
[2-(methylsulfanylmethyl)-1H-benzimidazol-4-yl]methanamine
CID 104721264
[2-(propoxymethyl)-1H-benzimidazol-4-yl]methanamine
CID 107941841
5-bromo-6-fluoro-2-(1-pyrazol-1-ylethyl)-1H-benzimidazole
CID 114040709
2-(4-bromo-1H-benzimidazol-2-yl)propan-1-amine
CID 83866913
(2R)-2-(4-fluoro-1H-benzimidazol-2-yl)propan-1-amine
CID 94542551
(2S)-2-(4-chloro-1H-benzimidazol-2-yl)propan-1-amine
CID 94542564
[2-(3-methylphenyl)-1H-benzimidazol-4-yl]methanamine
CID 104721321
[2-(2,2,2-trifluoroethyl)-1H-benzimidazol-4-yl]methanamine
CID 104721226
[2-(2,6-difluorophenyl)-1H-benzimidazol-4-yl]methanamine
CID 104721233

Frequently Asked Questions

What is the IUPAC name of [2-(1-pyrazol-1-ylethyl)-1H-benzimidazol-4-yl]methanamine?
The IUPAC name of [2-(1-pyrazol-1-ylethyl)-1H-benzimidazol-4-yl]methanamine (CID 114040741) is [2-(1-pyrazol-1-ylethyl)-1H-benzimidazol-4-yl]methanamine.
What is the SMILES notation for [2-(1-pyrazol-1-ylethyl)-1H-benzimidazol-4-yl]methanamine?
The canonical SMILES for [2-(1-pyrazol-1-ylethyl)-1H-benzimidazol-4-yl]methanamine is CC(c1nc2c(CN)cccc2[nH]1)n1cccn1.
What is the InChIKey of [2-(1-pyrazol-1-ylethyl)-1H-benzimidazol-4-yl]methanamine?
The InChIKey is ZWYNYZPWRFLHST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5/c1-9(18-7-3-6-15-18)13-16-11-5-2-4-10(8-14)12(11)17-13/h2-7,9H,8,14H2,1H3,(H,16,17).
What are the key properties of [2-(1-pyrazol-1-ylethyl)-1H-benzimidazol-4-yl]methanamine?
[2-(1-pyrazol-1-ylethyl)-1H-benzimidazol-4-yl]methanamine has a molecular weight of 241.30 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-pyrazol-1-ylethyl)-1H-benzimidazol-4-yl]methanamine is sourced from PubChem (CID 114040741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).