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

C26H28FN5O3 — CID 146370718

IUPAC3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-5-(4-fluoro-2-methoxy-5-methylphenyl)-N-[(4-methoxy-2-pyridinyl)methyl]benzamide
SMILESCOc1ccnc(CNC(=O)c2cc(CNC3=NCCN3)cc(-c3cc(C)c(F)cc3OC)c2)c1
InChIInChI=1S/C26H28FN5O3/c1-16-8-22(24(35-3)13-23(16)27)18-9-17(14-32-26-29-6-7-30-26)10-19(11-18)25(33)31-15-20-12-21(34-2)4-5-28-20/h4-5,8-13H,6-7,14-15H2,1-3H3,(H,31,33)(H2,29,30,32)
InChIKeyWWCQDRCTKNPKTR-UHFFFAOYSA-N
MW477.54 g/mol
LogP3.19
Rot. Bonds8

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

3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-5-(4-fluoro-2-methoxy-5-methylphenyl)-N-[(4-methoxy-2-pyridinyl)methyl]benzamide (PubChem CID 146370718) has the molecular formula C26H28FN5O3 and a molecular weight of 477.54 g/mol. Its IUPAC name is 3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-5-(4-fluoro-2-methoxy-5-methylphenyl)-N-[(4-methoxy-2-pyridinyl)methyl]benzamide.

Molecular Properties

Compound Name3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-5-(4-fluoro-2-methoxy-5-methylphenyl)-N-[(4-methoxy-2-pyridinyl)methyl]benzamide
PubChem CID146370718
Molecular FormulaC26H28FN5O3
Molecular Weight477.54 g/mol
Exact Mass477.22
IUPAC Name3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-5-(4-fluoro-2-methoxy-5-methylphenyl)-N-[(4-methoxy-2-pyridinyl)methyl]benzamide
SMILESCOc1ccnc(CNC(=O)c2cc(CNC3=NCCN3)cc(-c3cc(C)c(F)cc3OC)c2)c1
InChIInChI=1S/C26H28FN5O3/c1-16-8-22(24(35-3)13-23(16)27)18-9-17(14-32-26-29-6-7-30-26)10-19(11-18)25(33)31-15-20-12-21(34-2)4-5-28-20/h4-5,8-13H,6-7,14-15H2,1-3H3,(H,31,33)(H2,29,30,32)
InChIKeyWWCQDRCTKNPKTR-UHFFFAOYSA-N
XLogP3.19
TPSA96.87 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.54
LogP ≤ 53.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-5-(4-fluoro-2-methoxy-5-methylphenyl)-N-[(4-methoxy-2-pyridinyl)methyl]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

4-(3-fluoro-4-pyridinyl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]benzamide
CID 68513301
N-{2-[3-(2,6-Diisopropyl-phenyl)-ureido]-1-methyl-1-pyridin-2-yl-ethyl}-4-methoxy-benzamide
CID 10323227
2-amino-4-(4-methoxy-3-methylphenyl)-1-methyl-4-(3-(pyridin-3-yl)phenyl)-1H-imidazol-5(4H)-one
CID 11516577
2-amino-4-(4-methoxy-3-(trifluoromethyl)phenyl)-1-methyl-4-(3-(pyridin-3-yl)phenyl)-1H-imidazol-5(4H)-one
CID 11532248
2-amino-4-(4-methoxy-3-methylphenyl)-1-methyl-4-(4-methyl-3-(pyridin-3-yl)phenyl)-1H-imidazol-5(4H)-one
CID 11538592
2-amino-4-(3-cyclopentyl-4-methoxyphenyl)-1-methyl-4-(3-(pyridin-3-yl)phenyl)-1H-imidazol-5(4H)-one
CID 11553983
2-amino-4-(3-fluoro-4-methoxyphenyl)-1-methyl-4-(3-(pyridin-3-yl)phenyl)-1H-imidazol-5(4H)-one
CID 11632510
2-Amino-3-methyl-5-pyridin-4-yl-5-[3-[3-(trifluoromethoxy)phenyl]phenyl]imidazol-4-one
CID 15951486
2-Amino-5-[3-(3-methoxyphenyl)phenyl]-3-methyl-5-pyridin-4-ylimidazol-4-one
CID 15951489
(4S)-2-amino-4-(4-fluoro-3-(2-fluoropyridin-3-yl)phenyl)-4-(4-methoxy-3-methylphenyl)-1-methyl-1H-imidazol-5(4H)-one
CID 44631933
(4R)-2-amino-4-(4-fluoro-3-(2-fluoropyridin-3-yl)phenyl)-4-(4-methoxy-3-methylphenyl)-1-methyl-1H-imidazol-5(4H)-one
CID 45488105
2-amino-4-(3-(2-fluoropyridin-3-yl)phenyl)-1-methyl-4-(4-(trifluoromethoxy)phenyl)-1H-imidazol-5(4H)-one
CID 45488111

Frequently Asked Questions

What is the IUPAC name of 3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-5-(4-fluoro-2-methoxy-5-methylphenyl)-N-[(4-methoxy-2-pyridinyl)methyl]benzamide?
The IUPAC name of 3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-5-(4-fluoro-2-methoxy-5-methylphenyl)-N-[(4-methoxy-2-pyridinyl)methyl]benzamide (CID 146370718) is 3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-5-(4-fluoro-2-methoxy-5-methylphenyl)-N-[(4-methoxy-2-pyridinyl)methyl]benzamide.
What is the SMILES notation for 3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-5-(4-fluoro-2-methoxy-5-methylphenyl)-N-[(4-methoxy-2-pyridinyl)methyl]benzamide?
The canonical SMILES for 3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-5-(4-fluoro-2-methoxy-5-methylphenyl)-N-[(4-methoxy-2-pyridinyl)methyl]benzamide is COc1ccnc(CNC(=O)c2cc(CNC3=NCCN3)cc(-c3cc(C)c(F)cc3OC)c2)c1.
What is the InChIKey of 3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-5-(4-fluoro-2-methoxy-5-methylphenyl)-N-[(4-methoxy-2-pyridinyl)methyl]benzamide?
The InChIKey is WWCQDRCTKNPKTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN5O3/c1-16-8-22(24(35-3)13-23(16)27)18-9-17(14-32-26-29-6-7-30-26)10-19(11-18)25(33)31-15-20-12-21(34-2)4-5-28-20/h4-5,8-13H,6-7,14-15H2,1-3H3,(H,31,33)(H2,29,30,32).
What are the key properties of 3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-5-(4-fluoro-2-methoxy-5-methylphenyl)-N-[(4-methoxy-2-pyridinyl)methyl]benzamide?
3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-5-(4-fluoro-2-methoxy-5-methylphenyl)-N-[(4-methoxy-2-pyridinyl)methyl]benzamide has a molecular weight of 477.54 g/mol, XLogP of 3.19, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-5-(4-fluoro-2-methoxy-5-methylphenyl)-N-[(4-methoxy-2-pyridinyl)methyl]benzamide is sourced from PubChem (CID 146370718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).