3-(4,5-dimethyl-1H-benzimidazol-2-yl)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]propanamide

C17H22N6O — CID 135101692

IUPAC3-(4,5-dimethyl-1H-benzimidazol-2-yl)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]propanamide
SMILESCc1ccc2[nH]c(CCC(=O)NC(C)Cn3cncn3)nc2c1C
InChIInChI=1S/C17H22N6O/c1-11-4-5-14-17(13(11)3)22-15(21-14)6-7-16(24)20-12(2)8-23-10-18-9-19-23/h4-5,9-10,12H,6-8H2,1-3H3,(H,20,24)(H,21,22)
InChIKeyIBCUJOKQNYOKJT-UHFFFAOYSA-N
MW326.40 g/mol
LogP1.91
Rot. Bonds6

About 3-(4,5-dimethyl-1H-benzimidazol-2-yl)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]propanamide

3-(4,5-dimethyl-1H-benzimidazol-2-yl)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]propanamide (PubChem CID 135101692) has the molecular formula C17H22N6O and a molecular weight of 326.40 g/mol. Its IUPAC name is 3-(4,5-dimethyl-1H-benzimidazol-2-yl)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]propanamide.

Molecular Properties

Compound Name3-(4,5-dimethyl-1H-benzimidazol-2-yl)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]propanamide
PubChem CID135101692
Molecular FormulaC17H22N6O
Molecular Weight326.40 g/mol
Exact Mass326.19
IUPAC Name3-(4,5-dimethyl-1H-benzimidazol-2-yl)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]propanamide
SMILESCc1ccc2[nH]c(CCC(=O)NC(C)Cn3cncn3)nc2c1C
InChIInChI=1S/C17H22N6O/c1-11-4-5-14-17(13(11)3)22-15(21-14)6-7-16(24)20-12(2)8-23-10-18-9-19-23/h4-5,9-10,12H,6-8H2,1-3H3,(H,20,24)(H,21,22)
InChIKeyIBCUJOKQNYOKJT-UHFFFAOYSA-N
XLogP1.91
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4,5-dimethyl-1H-benzimidazol-2-yl)-N-(1-pyrazin-2-ylpropan-2-yl)propanamide
CID 91760615
2-methyl-N-[3-oxo-3-[1-(1,2,4-triazol-1-yl)propan-2-ylamino]propyl]benzamide
CID 60518268
3-(4,5-dimethyl-1H-benzimidazol-2-yl)-N-[3-(2-oxo-1-pyridinyl)propyl]propanamide
CID 90654010
3-phenoxy-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]propanamide
CID 90651126
N-[3-(4,5-dimethyl-1H-benzimidazol-2-yl)propyl]-4-pyrazol-1-ylbutanamide
CID 91841705
(2R)-2-methyl-N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 125178751
3-(5,6-dimethyl-1H-benzimidazol-2-yl)-N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]propanamide
CID 126448508
N-[2-(4,5-dimethyl-1H-benzimidazol-2-yl)ethyl]propane-2-sulfonamide
CID 131918098
5-ethyl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]-1H-pyrrole-2-carboxamide
CID 91782567
5-methyl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]-1H-indazole-3-carboxamide
CID 86846020
3-(2-oxo-3-propylbenzimidazol-1-yl)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]propanamide
CID 60518405
(2R)-N-[2-(4,5-dimethyl-1H-benzimidazol-2-yl)ethyl]-1-(4-methylpiperazin-1-yl)propan-2-amine
CID 95224011

Frequently Asked Questions

What is the IUPAC name of 3-(4,5-dimethyl-1H-benzimidazol-2-yl)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]propanamide?
The IUPAC name of 3-(4,5-dimethyl-1H-benzimidazol-2-yl)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]propanamide (CID 135101692) is 3-(4,5-dimethyl-1H-benzimidazol-2-yl)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]propanamide.
What is the SMILES notation for 3-(4,5-dimethyl-1H-benzimidazol-2-yl)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]propanamide?
The canonical SMILES for 3-(4,5-dimethyl-1H-benzimidazol-2-yl)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]propanamide is Cc1ccc2[nH]c(CCC(=O)NC(C)Cn3cncn3)nc2c1C.
What is the InChIKey of 3-(4,5-dimethyl-1H-benzimidazol-2-yl)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]propanamide?
The InChIKey is IBCUJOKQNYOKJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O/c1-11-4-5-14-17(13(11)3)22-15(21-14)6-7-16(24)20-12(2)8-23-10-18-9-19-23/h4-5,9-10,12H,6-8H2,1-3H3,(H,20,24)(H,21,22).
What are the key properties of 3-(4,5-dimethyl-1H-benzimidazol-2-yl)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]propanamide?
3-(4,5-dimethyl-1H-benzimidazol-2-yl)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]propanamide has a molecular weight of 326.40 g/mol, XLogP of 1.91, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-dimethyl-1H-benzimidazol-2-yl)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]propanamide is sourced from PubChem (CID 135101692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).