3-[[4-[2,5-dimethyl-4-[3-methyl-2-[(3-pyridin-3-yloxybenzoyl)amino]imidazol-4-yl]phenyl]pyrazol-1-yl]methyl]-N-[1-propan-2-yl-5-(2,4,5-trimethylphenyl)imidazol-2-yl]benzamide

C50H49N9O3 — CID 155067659

IUPAC3-[[4-[2,5-dimethyl-4-[3-methyl-2-[(3-pyridin-3-yloxybenzoyl)amino]imidazol-4-yl]phenyl]pyrazol-1-yl]methyl]-N-[1-propan-2-yl-5-(2,4,5-trimethylphenyl)imidazol-2-yl]benzamide
SMILESCc1cc(C)c(-c2cnc(NC(=O)c3cccc(Cn4cc(-c5cc(C)c(-c6cnc(NC(=O)c7cccc(Oc8cccnc8)c7)n6C)cc5C)cn4)c3)n2C(C)C)cc1C
InChIInChI=1S/C50H49N9O3/c1-30(2)59-46(44-19-32(4)31(3)18-33(44)5)27-53-50(59)56-47(60)37-13-9-12-36(22-37)28-58-29-39(24-54-58)42-20-35(7)43(21-34(42)6)45-26-52-49(57(45)8)55-48(61)38-14-10-15-40(23-38)62-41-16-11-17-51-25-41/h9-27,29-30H,28H2,1-8H3,(H,52,55,61)(H,53,56,60)
InChIKeyVGMXOTDDOPGTFF-UHFFFAOYSA-N
MW824.00 g/mol
LogP10.68
Rot. Bonds12

About 3-[[4-[2,5-dimethyl-4-[3-methyl-2-[(3-pyridin-3-yloxybenzoyl)amino]imidazol-4-yl]phenyl]pyrazol-1-yl]methyl]-N-[1-propan-2-yl-5-(2,4,5-trimethylphenyl)imidazol-2-yl]benzamide

3-[[4-[2,5-dimethyl-4-[3-methyl-2-[(3-pyridin-3-yloxybenzoyl)amino]imidazol-4-yl]phenyl]pyrazol-1-yl]methyl]-N-[1-propan-2-yl-5-(2,4,5-trimethylphenyl)imidazol-2-yl]benzamide (PubChem CID 155067659) has the molecular formula C50H49N9O3 and a molecular weight of 824.00 g/mol. Its IUPAC name is 3-[[4-[2,5-dimethyl-4-[3-methyl-2-[(3-pyridin-3-yloxybenzoyl)amino]imidazol-4-yl]phenyl]pyrazol-1-yl]methyl]-N-[1-propan-2-yl-5-(2,4,5-trimethylphenyl)imidazol-2-yl]benzamide.

Molecular Properties

Compound Name3-[[4-[2,5-dimethyl-4-[3-methyl-2-[(3-pyridin-3-yloxybenzoyl)amino]imidazol-4-yl]phenyl]pyrazol-1-yl]methyl]-N-[1-propan-2-yl-5-(2,4,5-trimethylphenyl)imidazol-2-yl]benzamide
PubChem CID155067659
Molecular FormulaC50H49N9O3
Molecular Weight824.00 g/mol
Exact Mass823.40
IUPAC Name3-[[4-[2,5-dimethyl-4-[3-methyl-2-[(3-pyridin-3-yloxybenzoyl)amino]imidazol-4-yl]phenyl]pyrazol-1-yl]methyl]-N-[1-propan-2-yl-5-(2,4,5-trimethylphenyl)imidazol-2-yl]benzamide
SMILESCc1cc(C)c(-c2cnc(NC(=O)c3cccc(Cn4cc(-c5cc(C)c(-c6cnc(NC(=O)c7cccc(Oc8cccnc8)c7)n6C)cc5C)cn4)c3)n2C(C)C)cc1C
InChIInChI=1S/C50H49N9O3/c1-30(2)59-46(44-19-32(4)31(3)18-33(44)5)27-53-50(59)56-47(60)37-13-9-12-36(22-37)28-58-29-39(24-54-58)42-20-35(7)43(21-34(42)6)45-26-52-49(57(45)8)55-48(61)38-14-10-15-40(23-38)62-41-16-11-17-51-25-41/h9-27,29-30H,28H2,1-8H3,(H,52,55,61)(H,53,56,60)
InChIKeyVGMXOTDDOPGTFF-UHFFFAOYSA-N
XLogP10.68
TPSA133.78 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500824.00
LogP ≤ 510.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 3-[[4-[2,5-dimethyl-4-[3-methyl-2-[(3-pyridin-3-yloxybenzoyl)amino]imidazol-4-yl]phenyl]pyrazol-1-yl]methyl]-N-[1-propan-2-yl-5-(2,4,5-trimethylphenyl)imidazol-2-yl]benzamide with MolForge

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Related Compounds

N-[1-methyl-5-(2,4,5-trimethylphenyl)imidazol-2-yl]-3-pyridin-3-yloxybenzamide
CID 154681643
3-[[4-[2,5-dimethyl-4-[3-methyl-2-[[4-(pyrazol-1-ylmethyl)benzoyl]amino]imidazol-4-yl]phenyl]pyrazol-1-yl]methyl]-N-[1-methyl-5-(2,4,5-trimethylphenyl)imidazol-2-yl]benzamide
CID 155067658
N-[1-propan-2-yl-5-(2,4,5-trimethylphenyl)imidazol-2-yl]-3-(pyrazol-1-ylmethyl)benzamide
CID 154681644
N-[1-methyl-5-(2,4,5-trimethylphenyl)imidazol-2-yl]-3-pyridin-2-yloxybenzamide
CID 154681699
3-[(3-aminopyrazol-1-yl)methyl]-N-[5-[2,5-dimethyl-4-(sulfanylmethyl)phenyl]-1-methylimidazol-2-yl]benzamide
CID 155067609
3-(difluoromethoxy)-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]benzamide
CID 19336243
3-(1,5-dimethylpyrazol-4-yl)-N-[(2S)-2-pyridin-3-yloxypropyl]benzamide
CID 125445501
3-[[4-[4-amino-6-[3-(prop-2-enoylamino)phenoxy]pyrimidin-5-yl]pyrazol-1-yl]methyl]benzoic acid
CID 123706835
3-propan-2-yloxy-N-(pyridin-3-ylmethyl)benzamide
CID 4552071
N-[5-(4-methoxyphenyl)-1-methylimidazol-2-yl]benzamide
CID 1096852
3-[(4-chloropyrazol-1-yl)methyl]-N-(2-methylpropyl)benzamide
CID 3238106
3-[[acetyl(propyl)amino]methyl]-N-[5-(4-bromo-3-methylphenyl)-1-methylimidazol-2-yl]benzamide
CID 154681712

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[2,5-dimethyl-4-[3-methyl-2-[(3-pyridin-3-yloxybenzoyl)amino]imidazol-4-yl]phenyl]pyrazol-1-yl]methyl]-N-[1-propan-2-yl-5-(2,4,5-trimethylphenyl)imidazol-2-yl]benzamide?
The IUPAC name of 3-[[4-[2,5-dimethyl-4-[3-methyl-2-[(3-pyridin-3-yloxybenzoyl)amino]imidazol-4-yl]phenyl]pyrazol-1-yl]methyl]-N-[1-propan-2-yl-5-(2,4,5-trimethylphenyl)imidazol-2-yl]benzamide (CID 155067659) is 3-[[4-[2,5-dimethyl-4-[3-methyl-2-[(3-pyridin-3-yloxybenzoyl)amino]imidazol-4-yl]phenyl]pyrazol-1-yl]methyl]-N-[1-propan-2-yl-5-(2,4,5-trimethylphenyl)imidazol-2-yl]benzamide.
What is the SMILES notation for 3-[[4-[2,5-dimethyl-4-[3-methyl-2-[(3-pyridin-3-yloxybenzoyl)amino]imidazol-4-yl]phenyl]pyrazol-1-yl]methyl]-N-[1-propan-2-yl-5-(2,4,5-trimethylphenyl)imidazol-2-yl]benzamide?
The canonical SMILES for 3-[[4-[2,5-dimethyl-4-[3-methyl-2-[(3-pyridin-3-yloxybenzoyl)amino]imidazol-4-yl]phenyl]pyrazol-1-yl]methyl]-N-[1-propan-2-yl-5-(2,4,5-trimethylphenyl)imidazol-2-yl]benzamide is Cc1cc(C)c(-c2cnc(NC(=O)c3cccc(Cn4cc(-c5cc(C)c(-c6cnc(NC(=O)c7cccc(Oc8cccnc8)c7)n6C)cc5C)cn4)c3)n2C(C)C)cc1C.
What is the InChIKey of 3-[[4-[2,5-dimethyl-4-[3-methyl-2-[(3-pyridin-3-yloxybenzoyl)amino]imidazol-4-yl]phenyl]pyrazol-1-yl]methyl]-N-[1-propan-2-yl-5-(2,4,5-trimethylphenyl)imidazol-2-yl]benzamide?
The InChIKey is VGMXOTDDOPGTFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H49N9O3/c1-30(2)59-46(44-19-32(4)31(3)18-33(44)5)27-53-50(59)56-47(60)37-13-9-12-36(22-37)28-58-29-39(24-54-58)42-20-35(7)43(21-34(42)6)45-26-52-49(57(45)8)55-48(61)38-14-10-15-40(23-38)62-41-16-11-17-51-25-41/h9-27,29-30H,28H2,1-8H3,(H,52,55,61)(H,53,56,60).
What are the key properties of 3-[[4-[2,5-dimethyl-4-[3-methyl-2-[(3-pyridin-3-yloxybenzoyl)amino]imidazol-4-yl]phenyl]pyrazol-1-yl]methyl]-N-[1-propan-2-yl-5-(2,4,5-trimethylphenyl)imidazol-2-yl]benzamide?
3-[[4-[2,5-dimethyl-4-[3-methyl-2-[(3-pyridin-3-yloxybenzoyl)amino]imidazol-4-yl]phenyl]pyrazol-1-yl]methyl]-N-[1-propan-2-yl-5-(2,4,5-trimethylphenyl)imidazol-2-yl]benzamide has a molecular weight of 824.00 g/mol, XLogP of 10.68, 12 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[2,5-dimethyl-4-[3-methyl-2-[(3-pyridin-3-yloxybenzoyl)amino]imidazol-4-yl]phenyl]pyrazol-1-yl]methyl]-N-[1-propan-2-yl-5-(2,4,5-trimethylphenyl)imidazol-2-yl]benzamide is sourced from PubChem (CID 155067659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).