4-[(1H-imidazol-2-ylmethylamino)methyl]-2-methyl-N-[1-[3-(1-methylpyrazol-4-yl)naphthalen-1-yl]ethyl]benzamide

C29H30N6O — CID 171792260

IUPAC4-[(1H-imidazol-2-ylmethylamino)methyl]-2-methyl-N-[1-[3-(1-methylpyrazol-4-yl)naphthalen-1-yl]ethyl]benzamide
SMILESCc1cc(CNCc2ncc[nH]2)ccc1C(=O)NC(C)c1cc(-c2cnn(C)c2)cc2ccccc12
InChIInChI=1S/C29H30N6O/c1-19-12-21(15-30-17-28-31-10-11-32-28)8-9-25(19)29(36)34-20(2)27-14-23(24-16-33-35(3)18-24)13-22-6-4-5-7-26(22)27/h4-14,16,18,20,30H,15,17H2,1-3H3,(H,31,32)(H,34,36)
InChIKeyPUZIIPJGNLABGQ-UHFFFAOYSA-N
MW478.60 g/mol
LogP5.05
Rot. Bonds8

About 4-[(1H-imidazol-2-ylmethylamino)methyl]-2-methyl-N-[1-[3-(1-methylpyrazol-4-yl)naphthalen-1-yl]ethyl]benzamide

4-[(1H-imidazol-2-ylmethylamino)methyl]-2-methyl-N-[1-[3-(1-methylpyrazol-4-yl)naphthalen-1-yl]ethyl]benzamide (PubChem CID 171792260) has the molecular formula C29H30N6O and a molecular weight of 478.60 g/mol. Its IUPAC name is 4-[(1H-imidazol-2-ylmethylamino)methyl]-2-methyl-N-[1-[3-(1-methylpyrazol-4-yl)naphthalen-1-yl]ethyl]benzamide.

Molecular Properties

Compound Name4-[(1H-imidazol-2-ylmethylamino)methyl]-2-methyl-N-[1-[3-(1-methylpyrazol-4-yl)naphthalen-1-yl]ethyl]benzamide
PubChem CID171792260
Molecular FormulaC29H30N6O
Molecular Weight478.60 g/mol
Exact Mass478.25
IUPAC Name4-[(1H-imidazol-2-ylmethylamino)methyl]-2-methyl-N-[1-[3-(1-methylpyrazol-4-yl)naphthalen-1-yl]ethyl]benzamide
SMILESCc1cc(CNCc2ncc[nH]2)ccc1C(=O)NC(C)c1cc(-c2cnn(C)c2)cc2ccccc12
InChIInChI=1S/C29H30N6O/c1-19-12-21(15-30-17-28-31-10-11-32-28)8-9-25(19)29(36)34-20(2)27-14-23(24-16-33-35(3)18-24)13-22-6-4-5-7-26(22)27/h4-14,16,18,20,30H,15,17H2,1-3H3,(H,31,32)(H,34,36)
InChIKeyPUZIIPJGNLABGQ-UHFFFAOYSA-N
XLogP5.05
TPSA87.63 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.60
LogP ≤ 55.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-[(1H-imidazol-2-ylmethylamino)methyl]-2-methyl-N-[1-[3-(1-methylpyrazol-4-yl)naphthalen-1-yl]ethyl]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 4-[(1H-imidazol-2-ylmethylamino)methyl]-2-methyl-N-[1-[3-(1-methylpyrazol-4-yl)naphthalen-1-yl]ethyl]benzamide?
The IUPAC name of 4-[(1H-imidazol-2-ylmethylamino)methyl]-2-methyl-N-[1-[3-(1-methylpyrazol-4-yl)naphthalen-1-yl]ethyl]benzamide (CID 171792260) is 4-[(1H-imidazol-2-ylmethylamino)methyl]-2-methyl-N-[1-[3-(1-methylpyrazol-4-yl)naphthalen-1-yl]ethyl]benzamide.
What is the SMILES notation for 4-[(1H-imidazol-2-ylmethylamino)methyl]-2-methyl-N-[1-[3-(1-methylpyrazol-4-yl)naphthalen-1-yl]ethyl]benzamide?
The canonical SMILES for 4-[(1H-imidazol-2-ylmethylamino)methyl]-2-methyl-N-[1-[3-(1-methylpyrazol-4-yl)naphthalen-1-yl]ethyl]benzamide is Cc1cc(CNCc2ncc[nH]2)ccc1C(=O)NC(C)c1cc(-c2cnn(C)c2)cc2ccccc12.
What is the InChIKey of 4-[(1H-imidazol-2-ylmethylamino)methyl]-2-methyl-N-[1-[3-(1-methylpyrazol-4-yl)naphthalen-1-yl]ethyl]benzamide?
The InChIKey is PUZIIPJGNLABGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N6O/c1-19-12-21(15-30-17-28-31-10-11-32-28)8-9-25(19)29(36)34-20(2)27-14-23(24-16-33-35(3)18-24)13-22-6-4-5-7-26(22)27/h4-14,16,18,20,30H,15,17H2,1-3H3,(H,31,32)(H,34,36).
What are the key properties of 4-[(1H-imidazol-2-ylmethylamino)methyl]-2-methyl-N-[1-[3-(1-methylpyrazol-4-yl)naphthalen-1-yl]ethyl]benzamide?
4-[(1H-imidazol-2-ylmethylamino)methyl]-2-methyl-N-[1-[3-(1-methylpyrazol-4-yl)naphthalen-1-yl]ethyl]benzamide has a molecular weight of 478.60 g/mol, XLogP of 5.05, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1H-imidazol-2-ylmethylamino)methyl]-2-methyl-N-[1-[3-(1-methylpyrazol-4-yl)naphthalen-1-yl]ethyl]benzamide is sourced from PubChem (CID 171792260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).