2-ethyl-1-[(3-propan-2-yl-1H-1,2,4-triazol-5-yl)methyl]benzimidazole

C15H19N5 — CID 167948616

IUPAC2-ethyl-1-[(3-propan-2-yl-1H-1,2,4-triazol-5-yl)methyl]benzimidazole
SMILESCCc1nc2ccccc2n1Cc1nc(C(C)C)n[nH]1
InChIInChI=1S/C15H19N5/c1-4-14-16-11-7-5-6-8-12(11)20(14)9-13-17-15(10(2)3)19-18-13/h5-8,10H,4,9H2,1-3H3,(H,17,18,19)
InChIKeyGWVDOFYLIAMDTB-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.89
Rot. Bonds4

About 2-ethyl-1-[(3-propan-2-yl-1H-1,2,4-triazol-5-yl)methyl]benzimidazole

2-ethyl-1-[(3-propan-2-yl-1H-1,2,4-triazol-5-yl)methyl]benzimidazole (PubChem CID 167948616) has the molecular formula C15H19N5 and a molecular weight of 269.35 g/mol. Its IUPAC name is 2-ethyl-1-[(3-propan-2-yl-1H-1,2,4-triazol-5-yl)methyl]benzimidazole.

Molecular Properties

Compound Name2-ethyl-1-[(3-propan-2-yl-1H-1,2,4-triazol-5-yl)methyl]benzimidazole
PubChem CID167948616
Molecular FormulaC15H19N5
Molecular Weight269.35 g/mol
Exact Mass269.16
IUPAC Name2-ethyl-1-[(3-propan-2-yl-1H-1,2,4-triazol-5-yl)methyl]benzimidazole
SMILESCCc1nc2ccccc2n1Cc1nc(C(C)C)n[nH]1
InChIInChI=1S/C15H19N5/c1-4-14-16-11-7-5-6-8-12(11)20(14)9-13-17-15(10(2)3)19-18-13/h5-8,10H,4,9H2,1-3H3,(H,17,18,19)
InChIKeyGWVDOFYLIAMDTB-UHFFFAOYSA-N
XLogP2.89
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-(2-ethylbenzimidazol-1-yl)propan-2-ol
CID 51975802
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1-[(2,5-dimethylphenyl)methyl]-2-ethylbenzimidazole
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1-(3,3-dimethylbutyl)-2-ethylbenzimidazole
CID 115582370
5-[(2-ethylbenzimidazol-1-yl)methyl]pyrazin-2-amine
CID 103057307
1-[2-(bromomethyl)-3-methylbutyl]-2-ethylbenzimidazole
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N-ethyl-N-[(2-ethylbenzimidazol-1-yl)methyl]ethanamine
CID 54753686
6-(2-ethylbenzimidazol-1-yl)hexan-2-amine
CID 63107097
2-ethyl-1-[(1R)-1-phenylethyl]benzimidazole
CID 962439
2-(2-ethylbenzimidazol-1-yl)-N-methylethanamine
CID 53211283
2-ethyl-1-[2-(4-propan-2-ylphenoxy)ethyl]benzimidazole
CID 16996424
1-[(4-bromothiophen-2-yl)methyl]-2-ethylbenzimidazole
CID 63106530

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-[(3-propan-2-yl-1H-1,2,4-triazol-5-yl)methyl]benzimidazole?
The IUPAC name of 2-ethyl-1-[(3-propan-2-yl-1H-1,2,4-triazol-5-yl)methyl]benzimidazole (CID 167948616) is 2-ethyl-1-[(3-propan-2-yl-1H-1,2,4-triazol-5-yl)methyl]benzimidazole.
What is the SMILES notation for 2-ethyl-1-[(3-propan-2-yl-1H-1,2,4-triazol-5-yl)methyl]benzimidazole?
The canonical SMILES for 2-ethyl-1-[(3-propan-2-yl-1H-1,2,4-triazol-5-yl)methyl]benzimidazole is CCc1nc2ccccc2n1Cc1nc(C(C)C)n[nH]1.
What is the InChIKey of 2-ethyl-1-[(3-propan-2-yl-1H-1,2,4-triazol-5-yl)methyl]benzimidazole?
The InChIKey is GWVDOFYLIAMDTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5/c1-4-14-16-11-7-5-6-8-12(11)20(14)9-13-17-15(10(2)3)19-18-13/h5-8,10H,4,9H2,1-3H3,(H,17,18,19).
What are the key properties of 2-ethyl-1-[(3-propan-2-yl-1H-1,2,4-triazol-5-yl)methyl]benzimidazole?
2-ethyl-1-[(3-propan-2-yl-1H-1,2,4-triazol-5-yl)methyl]benzimidazole has a molecular weight of 269.35 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-[(3-propan-2-yl-1H-1,2,4-triazol-5-yl)methyl]benzimidazole is sourced from PubChem (CID 167948616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).