2-methyl-N-[3-(1-methylbenzimidazol-2-yl)propyl]-3-(1,2,4-triazol-1-yl)propanamide

C17H22N6O — CID 118771504

IUPAC2-methyl-N-[3-(1-methylbenzimidazol-2-yl)propyl]-3-(1,2,4-triazol-1-yl)propanamide
SMILESCC(Cn1cncn1)C(=O)NCCCc1nc2ccccc2n1C
InChIInChI=1S/C17H22N6O/c1-13(10-23-12-18-11-20-23)17(24)19-9-5-8-16-21-14-6-3-4-7-15(14)22(16)2/h3-4,6-7,11-13H,5,8-10H2,1-2H3,(H,19,24)
InChIKeyWCPGDJKHVXIAOH-UHFFFAOYSA-N
MW326.40 g/mol
LogP1.55
Rot. Bonds7

About 2-methyl-N-[3-(1-methylbenzimidazol-2-yl)propyl]-3-(1,2,4-triazol-1-yl)propanamide

2-methyl-N-[3-(1-methylbenzimidazol-2-yl)propyl]-3-(1,2,4-triazol-1-yl)propanamide (PubChem CID 118771504) has the molecular formula C17H22N6O and a molecular weight of 326.40 g/mol. Its IUPAC name is 2-methyl-N-[3-(1-methylbenzimidazol-2-yl)propyl]-3-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound Name2-methyl-N-[3-(1-methylbenzimidazol-2-yl)propyl]-3-(1,2,4-triazol-1-yl)propanamide
PubChem CID118771504
Molecular FormulaC17H22N6O
Molecular Weight326.40 g/mol
Exact Mass326.19
IUPAC Name2-methyl-N-[3-(1-methylbenzimidazol-2-yl)propyl]-3-(1,2,4-triazol-1-yl)propanamide
SMILESCC(Cn1cncn1)C(=O)NCCCc1nc2ccccc2n1C
InChIInChI=1S/C17H22N6O/c1-13(10-23-12-18-11-20-23)17(24)19-9-5-8-16-21-14-6-3-4-7-15(14)22(16)2/h3-4,6-7,11-13H,5,8-10H2,1-2H3,(H,19,24)
InChIKeyWCPGDJKHVXIAOH-UHFFFAOYSA-N
XLogP1.55
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-(3,5-dimethylpyrazol-1-yl)-N-[3-(1-methylbenzimidazol-2-yl)propyl]propanamide
CID 95630274
3-amino-2-methyl-N-[3-(1-methylbenzimidazol-2-yl)propyl]-3-phenylpropanamide;dihydrochloride
CID 119889914
1-methyl-N-[3-(1-methylbenzimidazol-2-yl)propyl]-3-propan-2-ylpyrazole-5-carboxamide
CID 50970727
(2S)-N-[[2-(benzimidazol-1-yl)-3-pyridinyl]methyl]-2-methyl-3-(1,2,4-triazol-1-yl)propanamide
CID 95223644
2-methyl-N-(2-pyridin-4-ylethyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 131925012
(2S)-N-[3-(1-methylbenzimidazol-2-yl)propyl]-2-pyrrolidin-1-ylbutanamide
CID 124756311
N-cyclopentyl-2-[3-(1-methylbenzimidazol-2-yl)propylamino]propanamide
CID 50951475
N-[3-(1-methylbenzimidazol-2-yl)propyl]hexanamide
CID 56792616
N-[(1-methylbenzimidazol-2-yl)methyl]-4-[2-(1,2,4-triazol-1-yl)ethyl]piperazine-1-carboxamide
CID 119072160
4-methyl-N-[5-(1-methylbenzimidazol-2-yl)pentyl]-2-pyrrol-1-ylpentanamide
CID 121239237
N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-2-methyl-3-pyrazol-1-ylpropanamide
CID 131940714
1-methyl-2-[4-(1-methylbenzimidazol-2-yl)butyl]benzimidazole
CID 171320881

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-(1-methylbenzimidazol-2-yl)propyl]-3-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of 2-methyl-N-[3-(1-methylbenzimidazol-2-yl)propyl]-3-(1,2,4-triazol-1-yl)propanamide (CID 118771504) is 2-methyl-N-[3-(1-methylbenzimidazol-2-yl)propyl]-3-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for 2-methyl-N-[3-(1-methylbenzimidazol-2-yl)propyl]-3-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for 2-methyl-N-[3-(1-methylbenzimidazol-2-yl)propyl]-3-(1,2,4-triazol-1-yl)propanamide is CC(Cn1cncn1)C(=O)NCCCc1nc2ccccc2n1C.
What is the InChIKey of 2-methyl-N-[3-(1-methylbenzimidazol-2-yl)propyl]-3-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is WCPGDJKHVXIAOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O/c1-13(10-23-12-18-11-20-23)17(24)19-9-5-8-16-21-14-6-3-4-7-15(14)22(16)2/h3-4,6-7,11-13H,5,8-10H2,1-2H3,(H,19,24).
What are the key properties of 2-methyl-N-[3-(1-methylbenzimidazol-2-yl)propyl]-3-(1,2,4-triazol-1-yl)propanamide?
2-methyl-N-[3-(1-methylbenzimidazol-2-yl)propyl]-3-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 326.40 g/mol, XLogP of 1.55, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-(1-methylbenzimidazol-2-yl)propyl]-3-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 118771504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).