N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-4-(4-methyl-1,2,4-triazol-3-yl)piperazine-1-carboxamide

C17H22N8O — CID 167935540

IUPACN-[(4-methyl-1H-benzimidazol-2-yl)methyl]-4-(4-methyl-1,2,4-triazol-3-yl)piperazine-1-carboxamide
SMILESCc1cccc2[nH]c(CNC(=O)N3CCN(c4nncn4C)CC3)nc12
InChIInChI=1S/C17H22N8O/c1-12-4-3-5-13-15(12)21-14(20-13)10-18-17(26)25-8-6-24(7-9-25)16-22-19-11-23(16)2/h3-5,11H,6-10H2,1-2H3,(H,18,26)(H,20,21)
InChIKeyMKUUFTWYSSDPGS-UHFFFAOYSA-N
MW354.42 g/mol
LogP1.03
Rot. Bonds3

About N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-4-(4-methyl-1,2,4-triazol-3-yl)piperazine-1-carboxamide

N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-4-(4-methyl-1,2,4-triazol-3-yl)piperazine-1-carboxamide (PubChem CID 167935540) has the molecular formula C17H22N8O and a molecular weight of 354.42 g/mol. Its IUPAC name is N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-4-(4-methyl-1,2,4-triazol-3-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(4-methyl-1H-benzimidazol-2-yl)methyl]-4-(4-methyl-1,2,4-triazol-3-yl)piperazine-1-carboxamide
PubChem CID167935540
Molecular FormulaC17H22N8O
Molecular Weight354.42 g/mol
Exact Mass354.19
IUPAC NameN-[(4-methyl-1H-benzimidazol-2-yl)methyl]-4-(4-methyl-1,2,4-triazol-3-yl)piperazine-1-carboxamide
SMILESCc1cccc2[nH]c(CNC(=O)N3CCN(c4nncn4C)CC3)nc12
InChIInChI=1S/C17H22N8O/c1-12-4-3-5-13-15(12)21-14(20-13)10-18-17(26)25-8-6-24(7-9-25)16-22-19-11-23(16)2/h3-5,11H,6-10H2,1-2H3,(H,18,26)(H,20,21)
InChIKeyMKUUFTWYSSDPGS-UHFFFAOYSA-N
XLogP1.03
TPSA94.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.42
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-4-(4-methyl-1,2,4-triazol-3-yl)piperazine-1-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-4-(4-methyl-1,2,4-triazol-3-yl)piperazine-1-carboxamide?
The IUPAC name of N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-4-(4-methyl-1,2,4-triazol-3-yl)piperazine-1-carboxamide (CID 167935540) is N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-4-(4-methyl-1,2,4-triazol-3-yl)piperazine-1-carboxamide.
What is the SMILES notation for N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-4-(4-methyl-1,2,4-triazol-3-yl)piperazine-1-carboxamide?
The canonical SMILES for N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-4-(4-methyl-1,2,4-triazol-3-yl)piperazine-1-carboxamide is Cc1cccc2[nH]c(CNC(=O)N3CCN(c4nncn4C)CC3)nc12.
What is the InChIKey of N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-4-(4-methyl-1,2,4-triazol-3-yl)piperazine-1-carboxamide?
The InChIKey is MKUUFTWYSSDPGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N8O/c1-12-4-3-5-13-15(12)21-14(20-13)10-18-17(26)25-8-6-24(7-9-25)16-22-19-11-23(16)2/h3-5,11H,6-10H2,1-2H3,(H,18,26)(H,20,21).
What are the key properties of N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-4-(4-methyl-1,2,4-triazol-3-yl)piperazine-1-carboxamide?
N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-4-(4-methyl-1,2,4-triazol-3-yl)piperazine-1-carboxamide has a molecular weight of 354.42 g/mol, XLogP of 1.03, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-4-(4-methyl-1,2,4-triazol-3-yl)piperazine-1-carboxamide is sourced from PubChem (CID 167935540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).