3-(2-oxo-3-propylbenzimidazol-1-yl)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]propanamide

C18H24N6O2 — CID 60518405

IUPAC3-(2-oxo-3-propylbenzimidazol-1-yl)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]propanamide
SMILESCCCn1c(=O)n(CCC(=O)NC(C)Cn2cncn2)c2ccccc21
InChIInChI=1S/C18H24N6O2/c1-3-9-23-15-6-4-5-7-16(15)24(18(23)26)10-8-17(25)21-14(2)11-22-13-19-12-20-22/h4-7,12-14H,3,8-11H2,1-2H3,(H,21,25)
InChIKeyVPIYYZIXIICHKQ-UHFFFAOYSA-N
MW356.43 g/mol
LogP1.40
Rot. Bonds8

About 3-(2-oxo-3-propylbenzimidazol-1-yl)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]propanamide

3-(2-oxo-3-propylbenzimidazol-1-yl)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]propanamide (PubChem CID 60518405) has the molecular formula C18H24N6O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is 3-(2-oxo-3-propylbenzimidazol-1-yl)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]propanamide.

Molecular Properties

Compound Name3-(2-oxo-3-propylbenzimidazol-1-yl)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]propanamide
PubChem CID60518405
Molecular FormulaC18H24N6O2
Molecular Weight356.43 g/mol
Exact Mass356.20
IUPAC Name3-(2-oxo-3-propylbenzimidazol-1-yl)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]propanamide
SMILESCCCn1c(=O)n(CCC(=O)NC(C)Cn2cncn2)c2ccccc21
InChIInChI=1S/C18H24N6O2/c1-3-9-23-15-6-4-5-7-16(15)24(18(23)26)10-8-17(25)21-14(2)11-22-13-19-12-20-22/h4-7,12-14H,3,8-11H2,1-2H3,(H,21,25)
InChIKeyVPIYYZIXIICHKQ-UHFFFAOYSA-N
XLogP1.40
TPSA86.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(2-oxo-3-propylbenzimidazol-1-yl)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]propanamide
CID 18132525
3-phenoxy-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]propanamide
CID 90651126
3-(2-oxo-3-propylbenzimidazol-1-yl)-N-(1-pyridin-2-ylethyl)propanamide
CID 24645457
3-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]propanamide
CID 71984950
2-methyl-N-[3-oxo-3-[1-(1,2,4-triazol-1-yl)propan-2-ylamino]propyl]benzamide
CID 60518268
N-(5-methylhexan-2-yl)-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide
CID 46515927
N-[1-(3-chlorophenyl)ethyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
CID 134031322
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
CID 18116505
1-(1,3-diethyl-6-methyl-2-oxobenzimidazol-5-yl)-3-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]urea
CID 125177949
N'-[3-(2-oxo-3-propylbenzimidazol-1-yl)propanoyl]cyclopropanecarbohydrazide
CID 27019386
1-methyl-6-oxo-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]pyridine-3-carboxamide
CID 75461996
N-[1-(2,5-dimethoxyphenyl)ethyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
CID 134056639

Frequently Asked Questions

What is the IUPAC name of 3-(2-oxo-3-propylbenzimidazol-1-yl)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]propanamide?
The IUPAC name of 3-(2-oxo-3-propylbenzimidazol-1-yl)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]propanamide (CID 60518405) is 3-(2-oxo-3-propylbenzimidazol-1-yl)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]propanamide.
What is the SMILES notation for 3-(2-oxo-3-propylbenzimidazol-1-yl)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]propanamide?
The canonical SMILES for 3-(2-oxo-3-propylbenzimidazol-1-yl)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]propanamide is CCCn1c(=O)n(CCC(=O)NC(C)Cn2cncn2)c2ccccc21.
What is the InChIKey of 3-(2-oxo-3-propylbenzimidazol-1-yl)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]propanamide?
The InChIKey is VPIYYZIXIICHKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O2/c1-3-9-23-15-6-4-5-7-16(15)24(18(23)26)10-8-17(25)21-14(2)11-22-13-19-12-20-22/h4-7,12-14H,3,8-11H2,1-2H3,(H,21,25).
What are the key properties of 3-(2-oxo-3-propylbenzimidazol-1-yl)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]propanamide?
3-(2-oxo-3-propylbenzimidazol-1-yl)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]propanamide has a molecular weight of 356.43 g/mol, XLogP of 1.40, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxo-3-propylbenzimidazol-1-yl)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]propanamide is sourced from PubChem (CID 60518405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).