N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]-2-(1H-1,2,4-triazol-5-yl)benzamide

C17H18N6O — CID 56741582

IUPACN-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]-2-(1H-1,2,4-triazol-5-yl)benzamide
SMILESCn1ccnc1CN(C(=O)c1ccccc1-c1ncn[nH]1)C1CC1
InChIInChI=1S/C17H18N6O/c1-22-9-8-18-15(22)10-23(12-6-7-12)17(24)14-5-3-2-4-13(14)16-19-11-20-21-16/h2-5,8-9,11-12H,6-7,10H2,1H3,(H,19,20,21)
InChIKeyCLQHBCOVFIFLPN-UHFFFAOYSA-N
MW322.37 g/mol
LogP2.01
Rot. Bonds5

About N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]-2-(1H-1,2,4-triazol-5-yl)benzamide

N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]-2-(1H-1,2,4-triazol-5-yl)benzamide (PubChem CID 56741582) has the molecular formula C17H18N6O and a molecular weight of 322.37 g/mol. Its IUPAC name is N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]-2-(1H-1,2,4-triazol-5-yl)benzamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]-2-(1H-1,2,4-triazol-5-yl)benzamide
PubChem CID56741582
Molecular FormulaC17H18N6O
Molecular Weight322.37 g/mol
Exact Mass322.15
IUPAC NameN-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]-2-(1H-1,2,4-triazol-5-yl)benzamide
SMILESCn1ccnc1CN(C(=O)c1ccccc1-c1ncn[nH]1)C1CC1
InChIInChI=1S/C17H18N6O/c1-22-9-8-18-15(22)10-23(12-6-7-12)17(24)14-5-3-2-4-13(14)16-19-11-20-21-16/h2-5,8-9,11-12H,6-7,10H2,1H3,(H,19,20,21)
InChIKeyCLQHBCOVFIFLPN-UHFFFAOYSA-N
XLogP2.01
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]-2-(1H-1,2,4-triazol-5-yl)benzamide 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-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]-2-(1H-1,2,4-triazol-5-yl)benzamide?
The IUPAC name of N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]-2-(1H-1,2,4-triazol-5-yl)benzamide (CID 56741582) is N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]-2-(1H-1,2,4-triazol-5-yl)benzamide.
What is the SMILES notation for N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]-2-(1H-1,2,4-triazol-5-yl)benzamide?
The canonical SMILES for N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]-2-(1H-1,2,4-triazol-5-yl)benzamide is Cn1ccnc1CN(C(=O)c1ccccc1-c1ncn[nH]1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]-2-(1H-1,2,4-triazol-5-yl)benzamide?
The InChIKey is CLQHBCOVFIFLPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O/c1-22-9-8-18-15(22)10-23(12-6-7-12)17(24)14-5-3-2-4-13(14)16-19-11-20-21-16/h2-5,8-9,11-12H,6-7,10H2,1H3,(H,19,20,21).
What are the key properties of N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]-2-(1H-1,2,4-triazol-5-yl)benzamide?
N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]-2-(1H-1,2,4-triazol-5-yl)benzamide has a molecular weight of 322.37 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]-2-(1H-1,2,4-triazol-5-yl)benzamide is sourced from PubChem (CID 56741582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).