2-[1-butyl-5-[(2-propan-2-ylbenzimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]acetamide

C19H26N6O — CID 157013188

IUPAC2-[1-butyl-5-[(2-propan-2-ylbenzimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]acetamide
SMILESCCCCn1nc(CC(N)=O)nc1Cn1c(C(C)C)nc2ccccc21
InChIInChI=1S/C19H26N6O/c1-4-5-10-25-18(22-17(23-25)11-16(20)26)12-24-15-9-7-6-8-14(15)21-19(24)13(2)3/h6-9,13H,4-5,10-12H2,1-3H3,(H2,20,26)
InChIKeyBLAOWPAPNRQBBF-UHFFFAOYSA-N
MW354.46 g/mol
LogP2.63
Rot. Bonds8

About 2-[1-butyl-5-[(2-propan-2-ylbenzimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]acetamide

2-[1-butyl-5-[(2-propan-2-ylbenzimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]acetamide (PubChem CID 157013188) has the molecular formula C19H26N6O and a molecular weight of 354.46 g/mol. Its IUPAC name is 2-[1-butyl-5-[(2-propan-2-ylbenzimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]acetamide.

Molecular Properties

Compound Name2-[1-butyl-5-[(2-propan-2-ylbenzimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]acetamide
PubChem CID157013188
Molecular FormulaC19H26N6O
Molecular Weight354.46 g/mol
Exact Mass354.22
IUPAC Name2-[1-butyl-5-[(2-propan-2-ylbenzimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]acetamide
SMILESCCCCn1nc(CC(N)=O)nc1Cn1c(C(C)C)nc2ccccc21
InChIInChI=1S/C19H26N6O/c1-4-5-10-25-18(22-17(23-25)11-16(20)26)12-24-15-9-7-6-8-14(15)21-19(24)13(2)3/h6-9,13H,4-5,10-12H2,1-3H3,(H2,20,26)
InChIKeyBLAOWPAPNRQBBF-UHFFFAOYSA-N
XLogP2.63
TPSA91.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.46
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2-propan-2-ylbenzimidazol-1-yl)propanamide
CID 3627686
1-ethyl-2-propan-2-ylbenzimidazole
CID 962427
2-[2-[(2-butylbenzimidazol-1-yl)methyl]benzimidazol-1-yl]acetamide
CID 46784668
2-[3-(oxan-4-yl)-5-[(2-propan-2-ylbenzimidazol-1-yl)methyl]-1,2,4-triazol-1-yl]ethanol
CID 163309210
1-(1-nonylbenzimidazol-2-yl)ethanamine
CID 82024716
2-(1-butylbenzimidazol-2-yl)ethanethioamide
CID 55244550
2-[1-butyl-5-[(2S,3R)-5-oxo-3-phenyl-4-propan-2-ylmorpholin-2-yl]-1,2,4-triazol-3-yl]acetamide
CID 157018112
N-[(1R)-1-(1-pentylbenzimidazol-2-yl)ethyl]acetamide
CID 7023918
3-[(2-propan-2-ylbenzimidazol-1-yl)methyl]benzoic acid
CID 82144550
N-ethyl-2-(2-propan-2-ylbenzimidazol-1-yl)acetamide
CID 17028648
ethyl 2-(1-propylbenzimidazol-2-yl)propanoate
CID 79475436
N-[1-(1-undecylbenzimidazol-2-yl)ethyl]propanamide
CID 16968572

Frequently Asked Questions

What is the IUPAC name of 2-[1-butyl-5-[(2-propan-2-ylbenzimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]acetamide?
The IUPAC name of 2-[1-butyl-5-[(2-propan-2-ylbenzimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]acetamide (CID 157013188) is 2-[1-butyl-5-[(2-propan-2-ylbenzimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]acetamide.
What is the SMILES notation for 2-[1-butyl-5-[(2-propan-2-ylbenzimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]acetamide?
The canonical SMILES for 2-[1-butyl-5-[(2-propan-2-ylbenzimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]acetamide is CCCCn1nc(CC(N)=O)nc1Cn1c(C(C)C)nc2ccccc21.
What is the InChIKey of 2-[1-butyl-5-[(2-propan-2-ylbenzimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]acetamide?
The InChIKey is BLAOWPAPNRQBBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O/c1-4-5-10-25-18(22-17(23-25)11-16(20)26)12-24-15-9-7-6-8-14(15)21-19(24)13(2)3/h6-9,13H,4-5,10-12H2,1-3H3,(H2,20,26).
What are the key properties of 2-[1-butyl-5-[(2-propan-2-ylbenzimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]acetamide?
2-[1-butyl-5-[(2-propan-2-ylbenzimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]acetamide has a molecular weight of 354.46 g/mol, XLogP of 2.63, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-butyl-5-[(2-propan-2-ylbenzimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]acetamide is sourced from PubChem (CID 157013188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).