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

C25H26FN5O3 — CID 146371094

IUPAC3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-5-(4-fluoro-2-methoxyphenyl)-N-[(4-methoxy-2-pyridinyl)methyl]benzamide
SMILESCOc1ccnc(CNC(=O)c2cc(CNC3=NCCN3)cc(-c3ccc(F)cc3OC)c2)c1
InChIInChI=1S/C25H26FN5O3/c1-33-21-5-6-27-20(13-21)15-30-24(32)18-10-16(14-31-25-28-7-8-29-25)9-17(11-18)22-4-3-19(26)12-23(22)34-2/h3-6,9-13H,7-8,14-15H2,1-2H3,(H,30,32)(H2,28,29,31)
InChIKeyUYQBHFQYLCIJRJ-UHFFFAOYSA-N
MW463.51 g/mol
LogP2.88
Rot. Bonds8

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

3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-5-(4-fluoro-2-methoxyphenyl)-N-[(4-methoxy-2-pyridinyl)methyl]benzamide (PubChem CID 146371094) has the molecular formula C25H26FN5O3 and a molecular weight of 463.51 g/mol. Its IUPAC name is 3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-5-(4-fluoro-2-methoxyphenyl)-N-[(4-methoxy-2-pyridinyl)methyl]benzamide.

Molecular Properties

Compound Name3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-5-(4-fluoro-2-methoxyphenyl)-N-[(4-methoxy-2-pyridinyl)methyl]benzamide
PubChem CID146371094
Molecular FormulaC25H26FN5O3
Molecular Weight463.51 g/mol
Exact Mass463.20
IUPAC Name3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-5-(4-fluoro-2-methoxyphenyl)-N-[(4-methoxy-2-pyridinyl)methyl]benzamide
SMILESCOc1ccnc(CNC(=O)c2cc(CNC3=NCCN3)cc(-c3ccc(F)cc3OC)c2)c1
InChIInChI=1S/C25H26FN5O3/c1-33-21-5-6-27-20(13-21)15-30-24(32)18-10-16(14-31-25-28-7-8-29-25)9-17(11-18)22-4-3-19(26)12-23(22)34-2/h3-6,9-13H,7-8,14-15H2,1-2H3,(H,30,32)(H2,28,29,31)
InChIKeyUYQBHFQYLCIJRJ-UHFFFAOYSA-N
XLogP2.88
TPSA96.87 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.51
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

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Launch Full Analysis

Related Compounds

ROCK inhibitor-2
CID 51003130
4-(3-fluoro-4-pyridinyl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]benzamide
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CID 23648324
(2S)-N-{2-[(4-methoxyphenyl)amino]ethyl}-2-[(3-methylphenyl)formamido]-3-(pyridin-4-yl)propanamide
CID 23648325
2-[3-(4-Fluoro-2-methoxyphenyl)piperazin-1-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one;hydrochloride
CID 137642944
5-(4-Fluorophenyl)-7,8-dihydro-N-(2-methoxybenzyl)-N,7-dimethyl-8-oxo-6-pyrido[3,4-b]pyridinecarboxamide
CID 9980171
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-(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

Frequently Asked Questions

What is the IUPAC name of 3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-5-(4-fluoro-2-methoxyphenyl)-N-[(4-methoxy-2-pyridinyl)methyl]benzamide?
The IUPAC name of 3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-5-(4-fluoro-2-methoxyphenyl)-N-[(4-methoxy-2-pyridinyl)methyl]benzamide (CID 146371094) is 3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-5-(4-fluoro-2-methoxyphenyl)-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-methoxyphenyl)-N-[(4-methoxy-2-pyridinyl)methyl]benzamide?
The canonical SMILES for 3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-5-(4-fluoro-2-methoxyphenyl)-N-[(4-methoxy-2-pyridinyl)methyl]benzamide is COc1ccnc(CNC(=O)c2cc(CNC3=NCCN3)cc(-c3ccc(F)cc3OC)c2)c1.
What is the InChIKey of 3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-5-(4-fluoro-2-methoxyphenyl)-N-[(4-methoxy-2-pyridinyl)methyl]benzamide?
The InChIKey is UYQBHFQYLCIJRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN5O3/c1-33-21-5-6-27-20(13-21)15-30-24(32)18-10-16(14-31-25-28-7-8-29-25)9-17(11-18)22-4-3-19(26)12-23(22)34-2/h3-6,9-13H,7-8,14-15H2,1-2H3,(H,30,32)(H2,28,29,31).
What are the key properties of 3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-5-(4-fluoro-2-methoxyphenyl)-N-[(4-methoxy-2-pyridinyl)methyl]benzamide?
3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-5-(4-fluoro-2-methoxyphenyl)-N-[(4-methoxy-2-pyridinyl)methyl]benzamide has a molecular weight of 463.51 g/mol, XLogP of 2.88, 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-methoxyphenyl)-N-[(4-methoxy-2-pyridinyl)methyl]benzamide is sourced from PubChem (CID 146371094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).