N-[(4-chloro-3-methylphenyl)methyl]-3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-5-(4-methyl-3-pyridinyl)benzamide

C25H26ClN5O — CID 146370928

IUPACN-[(4-chloro-3-methylphenyl)methyl]-3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-5-(4-methyl-3-pyridinyl)benzamide
SMILESCc1cc(CNC(=O)c2cc(CNC3=NCCN3)cc(-c3cnccc3C)c2)ccc1Cl
InChIInChI=1S/C25H26ClN5O/c1-16-5-6-27-15-22(16)20-10-19(14-31-25-28-7-8-29-25)11-21(12-20)24(32)30-13-18-3-4-23(26)17(2)9-18/h3-6,9-12,15H,7-8,13-14H2,1-2H3,(H,30,32)(H2,28,29,31)
InChIKeyKSXRRLKDFXBULD-UHFFFAOYSA-N
MW447.97 g/mol
LogP4.00
Rot. Bonds6

About N-[(4-chloro-3-methylphenyl)methyl]-3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-5-(4-methyl-3-pyridinyl)benzamide

N-[(4-chloro-3-methylphenyl)methyl]-3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-5-(4-methyl-3-pyridinyl)benzamide (PubChem CID 146370928) has the molecular formula C25H26ClN5O and a molecular weight of 447.97 g/mol. Its IUPAC name is N-[(4-chloro-3-methylphenyl)methyl]-3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-5-(4-methyl-3-pyridinyl)benzamide.

Molecular Properties

Compound NameN-[(4-chloro-3-methylphenyl)methyl]-3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-5-(4-methyl-3-pyridinyl)benzamide
PubChem CID146370928
Molecular FormulaC25H26ClN5O
Molecular Weight447.97 g/mol
Exact Mass447.18
IUPAC NameN-[(4-chloro-3-methylphenyl)methyl]-3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-5-(4-methyl-3-pyridinyl)benzamide
SMILESCc1cc(CNC(=O)c2cc(CNC3=NCCN3)cc(-c3cnccc3C)c2)ccc1Cl
InChIInChI=1S/C25H26ClN5O/c1-16-5-6-27-15-22(16)20-10-19(14-31-25-28-7-8-29-25)11-21(12-20)24(32)30-13-18-3-4-23(26)17(2)9-18/h3-6,9-12,15H,7-8,13-14H2,1-2H3,(H,30,32)(H2,28,29,31)
InChIKeyKSXRRLKDFXBULD-UHFFFAOYSA-N
XLogP4.00
TPSA78.41 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.97
LogP ≤ 54.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[(4-chloro-3-methylphenyl)methyl]-3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-5-(4-methyl-3-pyridinyl)benzamide 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-[(4-chloro-3-methylphenyl)methyl]-3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-5-(2-fluoro-5-methyl-3-pyridinyl)benzamide
CID 146370933
N-[(3,4-dichlorophenyl)methyl]-3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-5-(2-methoxy-5-methylphenyl)benzamide
CID 146388353
3-(aminomethyl)-N-[(3,4-dichlorophenyl)methyl]-5-(4-methyl-3-pyridinyl)benzamide
CID 146371044
3-(4-chloro-3-methylphenyl)-1-[3-[2-(4,5-dihydro-1H-imidazol-2-yl)ethyl]-5-(4-methyl-3-pyridinyl)phenyl]propan-1-one
CID 158596323
3-(5-chloro-6-methoxy-3-pyridinyl)-5-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-N-[(3,5-dimethoxyphenyl)methyl]benzamide
CID 146370961
N-[(4-chloro-3-methylphenyl)methyl]-3-[(3,4-dihydro-2H-pyrrol-5-ylamino)methyl]-5-[2-(trifluoromethyl)-3-pyridinyl]benzamide
CID 146371019
N-[(4-chloro-3-methylphenyl)methyl]-3-[(3,4-dihydro-2H-pyrrol-5-ylamino)methyl]-5-(4-fluoro-2-methoxy-5-methylphenyl)benzamide
CID 146370853
N-[(3,4-dichlorophenyl)methyl]-3-[2-(4,5-dihydro-1H-imidazol-2-yl)ethyl]-5-(6-fluoro-2-methyl-3-pyridinyl)benzamide
CID 159580351
[3-[[cyclopropyl-(4-methyl-2-pyridinyl)methyl]carbamoyl]-5-(4-methyl-3-pyridinyl)phenyl]methylcarbamic acid
CID 146371072
N-tert-butyl-3-(4-ethylphenyl)-5-(4-methyl-3-pyridinyl)benzamide
CID 138636702
N-[(4-chloro-3-methylphenyl)methyl]-3-(6-fluoro-2-methyl-3-pyridinyl)-5-[[(1-methyl-4-oxoimidazolidin-2-ylidene)amino]methyl]benzamide
CID 146371005
4-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-6-(6-fluoro-2-methyl-3-pyridinyl)-N-[(5-methylpyrimidin-2-yl)methyl]pyridine-2-carboxamide
CID 146370984

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-3-methylphenyl)methyl]-3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-5-(4-methyl-3-pyridinyl)benzamide?
The IUPAC name of N-[(4-chloro-3-methylphenyl)methyl]-3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-5-(4-methyl-3-pyridinyl)benzamide (CID 146370928) is N-[(4-chloro-3-methylphenyl)methyl]-3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-5-(4-methyl-3-pyridinyl)benzamide.
What is the SMILES notation for N-[(4-chloro-3-methylphenyl)methyl]-3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-5-(4-methyl-3-pyridinyl)benzamide?
The canonical SMILES for N-[(4-chloro-3-methylphenyl)methyl]-3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-5-(4-methyl-3-pyridinyl)benzamide is Cc1cc(CNC(=O)c2cc(CNC3=NCCN3)cc(-c3cnccc3C)c2)ccc1Cl.
What is the InChIKey of N-[(4-chloro-3-methylphenyl)methyl]-3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-5-(4-methyl-3-pyridinyl)benzamide?
The InChIKey is KSXRRLKDFXBULD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClN5O/c1-16-5-6-27-15-22(16)20-10-19(14-31-25-28-7-8-29-25)11-21(12-20)24(32)30-13-18-3-4-23(26)17(2)9-18/h3-6,9-12,15H,7-8,13-14H2,1-2H3,(H,30,32)(H2,28,29,31).
What are the key properties of N-[(4-chloro-3-methylphenyl)methyl]-3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-5-(4-methyl-3-pyridinyl)benzamide?
N-[(4-chloro-3-methylphenyl)methyl]-3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-5-(4-methyl-3-pyridinyl)benzamide has a molecular weight of 447.97 g/mol, XLogP of 4.00, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-3-methylphenyl)methyl]-3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-5-(4-methyl-3-pyridinyl)benzamide is sourced from PubChem (CID 146370928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).