N-cyclopropyl-3-[1-(5-cyclopropyl-3-pyridinyl)imidazol-4-yl]-4-methylbenzamide

C22H22N4O — CID 134325449

IUPACN-cyclopropyl-3-[1-(5-cyclopropyl-3-pyridinyl)imidazol-4-yl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-c1cn(-c2cncc(C3CC3)c2)cn1
InChIInChI=1S/C22H22N4O/c1-14-2-3-16(22(27)25-18-6-7-18)9-20(14)21-12-26(13-24-21)19-8-17(10-23-11-19)15-4-5-15/h2-3,8-13,15,18H,4-7H2,1H3,(H,25,27)
InChIKeyNTAZOPJJSUKIRH-UHFFFAOYSA-N
MW358.45 g/mol
LogP4.01
Rot. Bonds5

About N-cyclopropyl-3-[1-(5-cyclopropyl-3-pyridinyl)imidazol-4-yl]-4-methylbenzamide

N-cyclopropyl-3-[1-(5-cyclopropyl-3-pyridinyl)imidazol-4-yl]-4-methylbenzamide (PubChem CID 134325449) has the molecular formula C22H22N4O and a molecular weight of 358.45 g/mol. Its IUPAC name is N-cyclopropyl-3-[1-(5-cyclopropyl-3-pyridinyl)imidazol-4-yl]-4-methylbenzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[1-(5-cyclopropyl-3-pyridinyl)imidazol-4-yl]-4-methylbenzamide
PubChem CID134325449
Molecular FormulaC22H22N4O
Molecular Weight358.45 g/mol
Exact Mass358.18
IUPAC NameN-cyclopropyl-3-[1-(5-cyclopropyl-3-pyridinyl)imidazol-4-yl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-c1cn(-c2cncc(C3CC3)c2)cn1
InChIInChI=1S/C22H22N4O/c1-14-2-3-16(22(27)25-18-6-7-18)9-20(14)21-12-26(13-24-21)19-8-17(10-23-11-19)15-4-5-15/h2-3,8-13,15,18H,4-7H2,1H3,(H,25,27)
InChIKeyNTAZOPJJSUKIRH-UHFFFAOYSA-N
XLogP4.01
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-cyclopropyl-3-[1-(5-cyclopropyl-3-pyridinyl)imidazol-4-yl]-4-methylbenzamide 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-3-[1-(5-cyclopropyl-3-pyridinyl)imidazol-4-yl]-4-methylbenzamide?
The IUPAC name of N-cyclopropyl-3-[1-(5-cyclopropyl-3-pyridinyl)imidazol-4-yl]-4-methylbenzamide (CID 134325449) is N-cyclopropyl-3-[1-(5-cyclopropyl-3-pyridinyl)imidazol-4-yl]-4-methylbenzamide.
What is the SMILES notation for N-cyclopropyl-3-[1-(5-cyclopropyl-3-pyridinyl)imidazol-4-yl]-4-methylbenzamide?
The canonical SMILES for N-cyclopropyl-3-[1-(5-cyclopropyl-3-pyridinyl)imidazol-4-yl]-4-methylbenzamide is Cc1ccc(C(=O)NC2CC2)cc1-c1cn(-c2cncc(C3CC3)c2)cn1.
What is the InChIKey of N-cyclopropyl-3-[1-(5-cyclopropyl-3-pyridinyl)imidazol-4-yl]-4-methylbenzamide?
The InChIKey is NTAZOPJJSUKIRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O/c1-14-2-3-16(22(27)25-18-6-7-18)9-20(14)21-12-26(13-24-21)19-8-17(10-23-11-19)15-4-5-15/h2-3,8-13,15,18H,4-7H2,1H3,(H,25,27).
What are the key properties of N-cyclopropyl-3-[1-(5-cyclopropyl-3-pyridinyl)imidazol-4-yl]-4-methylbenzamide?
N-cyclopropyl-3-[1-(5-cyclopropyl-3-pyridinyl)imidazol-4-yl]-4-methylbenzamide has a molecular weight of 358.45 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[1-(5-cyclopropyl-3-pyridinyl)imidazol-4-yl]-4-methylbenzamide is sourced from PubChem (CID 134325449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).