3-ethyl-2-(1-methylpyrazol-3-yl)benzimidazol-5-amine

C13H15N5 — CID 114202853

IUPAC3-ethyl-2-(1-methylpyrazol-3-yl)benzimidazol-5-amine
SMILESCCn1c(-c2ccn(C)n2)nc2ccc(N)cc21
InChIInChI=1S/C13H15N5/c1-3-18-12-8-9(14)4-5-10(12)15-13(18)11-6-7-17(2)16-11/h4-8H,3,14H2,1-2H3
InChIKeyMEQIGGLODQFLBK-UHFFFAOYSA-N
MW241.30 g/mol
LogP2.04
Rot. Bonds2

About 3-ethyl-2-(1-methylpyrazol-3-yl)benzimidazol-5-amine

3-ethyl-2-(1-methylpyrazol-3-yl)benzimidazol-5-amine (PubChem CID 114202853) has the molecular formula C13H15N5 and a molecular weight of 241.30 g/mol. Its IUPAC name is 3-ethyl-2-(1-methylpyrazol-3-yl)benzimidazol-5-amine.

Molecular Properties

Compound Name3-ethyl-2-(1-methylpyrazol-3-yl)benzimidazol-5-amine
PubChem CID114202853
Molecular FormulaC13H15N5
Molecular Weight241.30 g/mol
Exact Mass241.13
IUPAC Name3-ethyl-2-(1-methylpyrazol-3-yl)benzimidazol-5-amine
SMILESCCn1c(-c2ccn(C)n2)nc2ccc(N)cc21
InChIInChI=1S/C13H15N5/c1-3-18-12-8-9(14)4-5-10(12)15-13(18)11-6-7-17(2)16-11/h4-8H,3,14H2,1-2H3
InChIKeyMEQIGGLODQFLBK-UHFFFAOYSA-N
XLogP2.04
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.30
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(4-chlorophenyl)-1-ethylbenzimidazol-5-amine
CID 83813225
1-ethyl-2-(3-methylphenyl)benzimidazol-5-amine
CID 82382499
3-ethyl-2-(oxolan-3-yl)benzimidazol-5-amine
CID 114202823
3-chloro-4-(5-chloro-1-ethylbenzimidazol-2-yl)aniline
CID 61399151
4-chloro-3-(5-chloro-1-ethylbenzimidazol-2-yl)aniline
CID 60861711
2-(methoxymethyl)-3-methylbenzimidazol-5-amine
CID 91560563
[4-(1-ethyl-6-fluorobenzimidazol-2-yl)-1,3-thiazol-2-yl]methanamine
CID 66380869
4-(1-ethyl-6-fluorobenzimidazol-2-yl)-2-fluoroaniline
CID 63187874
2-[(1-methylpyrazol-3-yl)methylsulfinyl]-3H-benzimidazol-5-amine
CID 82877295
3-butan-2-yl-2-methylbenzimidazol-5-amine
CID 133190269
3-propylbenzimidazol-5-amine
CID 18379870
5-(6-chloro-1-ethylbenzimidazol-2-yl)-2,4-difluoroaniline
CID 115472738

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-(1-methylpyrazol-3-yl)benzimidazol-5-amine?
The IUPAC name of 3-ethyl-2-(1-methylpyrazol-3-yl)benzimidazol-5-amine (CID 114202853) is 3-ethyl-2-(1-methylpyrazol-3-yl)benzimidazol-5-amine.
What is the SMILES notation for 3-ethyl-2-(1-methylpyrazol-3-yl)benzimidazol-5-amine?
The canonical SMILES for 3-ethyl-2-(1-methylpyrazol-3-yl)benzimidazol-5-amine is CCn1c(-c2ccn(C)n2)nc2ccc(N)cc21.
What is the InChIKey of 3-ethyl-2-(1-methylpyrazol-3-yl)benzimidazol-5-amine?
The InChIKey is MEQIGGLODQFLBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5/c1-3-18-12-8-9(14)4-5-10(12)15-13(18)11-6-7-17(2)16-11/h4-8H,3,14H2,1-2H3.
What are the key properties of 3-ethyl-2-(1-methylpyrazol-3-yl)benzimidazol-5-amine?
3-ethyl-2-(1-methylpyrazol-3-yl)benzimidazol-5-amine has a molecular weight of 241.30 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-(1-methylpyrazol-3-yl)benzimidazol-5-amine is sourced from PubChem (CID 114202853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).