2-(2-methylbenzimidazol-1-yl)-N-[(1S)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]acetamide

C17H22N6O — CID 125161067

IUPAC2-(2-methylbenzimidazol-1-yl)-N-[(1S)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]acetamide
SMILESCCCn1ncnc1[C@H](C)NC(=O)Cn1c(C)nc2ccccc21
InChIInChI=1S/C17H22N6O/c1-4-9-23-17(18-11-19-23)12(2)20-16(24)10-22-13(3)21-14-7-5-6-8-15(14)22/h5-8,11-12H,4,9-10H2,1-3H3,(H,20,24)/t12-/m0/s1
InChIKeyGTAPDOJHQWTZRB-LBPRGKRZSA-N
MW326.40 g/mol
LogP2.22
Rot. Bonds6

About 2-(2-methylbenzimidazol-1-yl)-N-[(1S)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]acetamide

2-(2-methylbenzimidazol-1-yl)-N-[(1S)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]acetamide (PubChem CID 125161067) has the molecular formula C17H22N6O and a molecular weight of 326.40 g/mol. Its IUPAC name is 2-(2-methylbenzimidazol-1-yl)-N-[(1S)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2-methylbenzimidazol-1-yl)-N-[(1S)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]acetamide
PubChem CID125161067
Molecular FormulaC17H22N6O
Molecular Weight326.40 g/mol
Exact Mass326.19
IUPAC Name2-(2-methylbenzimidazol-1-yl)-N-[(1S)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]acetamide
SMILESCCCn1ncnc1[C@H](C)NC(=O)Cn1c(C)nc2ccccc21
InChIInChI=1S/C17H22N6O/c1-4-9-23-17(18-11-19-23)12(2)20-16(24)10-22-13(3)21-14-7-5-6-8-15(14)22/h5-8,11-12H,4,9-10H2,1-3H3,(H,20,24)/t12-/m0/s1
InChIKeyGTAPDOJHQWTZRB-LBPRGKRZSA-N
XLogP2.22
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(2-methylbenzimidazol-1-yl)-N-[(1S)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1R)-1-(4-ethylphenyl)ethyl]-2-(2-methylbenzimidazol-1-yl)acetamide
CID 7755480
N-[(1R)-1-(1-propylbenzimidazol-2-yl)ethyl]propanamide
CID 751155
2-(4-methylpyrazol-1-yl)-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]acetamide
CID 122567315
2-(2-methylbenzimidazol-1-yl)-N-[(1R)-1-thiophen-2-ylethyl]acetamide
CID 7755575
N-[1-[1-[2-oxo-2-(propan-2-ylamino)ethyl]benzimidazol-2-yl]ethyl]propanamide
CID 17029919
2-methoxy-N-[1-(1-propylbenzimidazol-2-yl)ethyl]acetamide
CID 5013260
2-methylsulfonyl-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]acetamide
CID 122570467
N-[(1R)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]-2-pyrimidin-2-ylsulfanylacetamide
CID 125439875
N-[(1S)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]-2-pyrimidin-2-ylsulfanylacetamide
CID 125439874
2-(4-methoxyphenyl)-N-[1-(1-propylbenzimidazol-2-yl)ethyl]acetamide
CID 16972665
N-[1-(1-undecylbenzimidazol-2-yl)ethyl]propanamide
CID 16968572
N-(1-amino-4-methylpentan-2-yl)-2-(2-methylbenzimidazol-1-yl)acetamide
CID 119587115

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylbenzimidazol-1-yl)-N-[(1S)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]acetamide?
The IUPAC name of 2-(2-methylbenzimidazol-1-yl)-N-[(1S)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]acetamide (CID 125161067) is 2-(2-methylbenzimidazol-1-yl)-N-[(1S)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]acetamide.
What is the SMILES notation for 2-(2-methylbenzimidazol-1-yl)-N-[(1S)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]acetamide?
The canonical SMILES for 2-(2-methylbenzimidazol-1-yl)-N-[(1S)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]acetamide is CCCn1ncnc1[C@H](C)NC(=O)Cn1c(C)nc2ccccc21.
What is the InChIKey of 2-(2-methylbenzimidazol-1-yl)-N-[(1S)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]acetamide?
The InChIKey is GTAPDOJHQWTZRB-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H22N6O/c1-4-9-23-17(18-11-19-23)12(2)20-16(24)10-22-13(3)21-14-7-5-6-8-15(14)22/h5-8,11-12H,4,9-10H2,1-3H3,(H,20,24)/t12-/m0/s1.
What are the key properties of 2-(2-methylbenzimidazol-1-yl)-N-[(1S)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]acetamide?
2-(2-methylbenzimidazol-1-yl)-N-[(1S)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]acetamide has a molecular weight of 326.40 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylbenzimidazol-1-yl)-N-[(1S)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]acetamide is sourced from PubChem (CID 125161067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).