N-[6-[1-[(2-methylphenyl)methyl]benzimidazol-5-yl]-2-pyridinyl]-2-phenylacetamide;N-[6-[3-[(2-methylphenyl)methyl]benzimidazol-5-yl]-2-pyridinyl]-2-phenylacetamide

C56H48N8O2 — CID 161231093

IUPACN-[6-[1-[(2-methylphenyl)methyl]benzimidazol-5-yl]-2-pyridinyl]-2-phenylacetamide;N-[6-[3-[(2-methylphenyl)methyl]benzimidazol-5-yl]-2-pyridinyl]-2-phenylacetamide
SMILESCc1ccccc1Cn1cnc2cc(-c3cccc(NC(=O)Cc4ccccc4)n3)ccc21.Cc1ccccc1Cn1cnc2ccc(-c3cccc(NC(=O)Cc4ccccc4)n3)cc21
InChIInChI=1S/2C28H24N4O/c1-20-8-5-6-11-23(20)18-32-19-29-25-17-22(14-15-26(25)32)24-12-7-13-27(30-24)31-28(33)16-21-9-3-2-4-10-21;1-20-8-5-6-11-23(20)18-32-19-29-25-15-14-22(17-26(25)32)24-12-7-13-27(30-24)31-28(33)16-21-9-3-2-4-10-21/h2*2-15,17,19H,16,18H2,1H3,(H,30,31,33)
InChIKeyUYTIIMAWUDPQDT-UHFFFAOYSA-N
MW865.05 g/mol
LogP11.27
Rot. Bonds12

About N-[6-[1-[(2-methylphenyl)methyl]benzimidazol-5-yl]-2-pyridinyl]-2-phenylacetamide;N-[6-[3-[(2-methylphenyl)methyl]benzimidazol-5-yl]-2-pyridinyl]-2-phenylacetamide

N-[6-[1-[(2-methylphenyl)methyl]benzimidazol-5-yl]-2-pyridinyl]-2-phenylacetamide;N-[6-[3-[(2-methylphenyl)methyl]benzimidazol-5-yl]-2-pyridinyl]-2-phenylacetamide (PubChem CID 161231093) has the molecular formula C56H48N8O2 and a molecular weight of 865.05 g/mol. Its IUPAC name is N-[6-[1-[(2-methylphenyl)methyl]benzimidazol-5-yl]-2-pyridinyl]-2-phenylacetamide;N-[6-[3-[(2-methylphenyl)methyl]benzimidazol-5-yl]-2-pyridinyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[6-[1-[(2-methylphenyl)methyl]benzimidazol-5-yl]-2-pyridinyl]-2-phenylacetamide;N-[6-[3-[(2-methylphenyl)methyl]benzimidazol-5-yl]-2-pyridinyl]-2-phenylacetamide
PubChem CID161231093
Molecular FormulaC56H48N8O2
Molecular Weight865.05 g/mol
Exact Mass864.39
IUPAC NameN-[6-[1-[(2-methylphenyl)methyl]benzimidazol-5-yl]-2-pyridinyl]-2-phenylacetamide;N-[6-[3-[(2-methylphenyl)methyl]benzimidazol-5-yl]-2-pyridinyl]-2-phenylacetamide
SMILESCc1ccccc1Cn1cnc2cc(-c3cccc(NC(=O)Cc4ccccc4)n3)ccc21.Cc1ccccc1Cn1cnc2ccc(-c3cccc(NC(=O)Cc4ccccc4)n3)cc21
InChIInChI=1S/2C28H24N4O/c1-20-8-5-6-11-23(20)18-32-19-29-25-17-22(14-15-26(25)32)24-12-7-13-27(30-24)31-28(33)16-21-9-3-2-4-10-21;1-20-8-5-6-11-23(20)18-32-19-29-25-15-14-22(17-26(25)32)24-12-7-13-27(30-24)31-28(33)16-21-9-3-2-4-10-21/h2*2-15,17,19H,16,18H2,1H3,(H,30,31,33)
InChIKeyUYTIIMAWUDPQDT-UHFFFAOYSA-N
XLogP11.27
TPSA119.62 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500865.05
LogP ≤ 511.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-(4-{5-[3-(Acetylamino)phenyl]-2-(2-Aminopyridin-3-Yl)-3h-Imidazo[4,5-B]pyridin-3-Yl}benzyl)-3-Fluorobenzamide
CID 56965952
(3S)-3-benzyl-5-[9-ethyl-8-(2-methylpyrimidin-5-yl)-9H-purin-6-yl]-3-methyl-1,3-dihydro-2H-indol-2-one
CID 131964682
7,8-Dimethyl-4-[4-(2-methyl-imidazo[4,5-c]pyridin-1-yl)-phenyl]-1,3-dihydro-benzo[b][1,4]diazepin-2-one
CID 10453303
1-(2-Aza-bicyclo[2.2.2]oct-2-yl)-2-[3-{(S)-2-[2-(1H-benzoimidazol-5-yl)-ethylamino]-1-methyl-ethyl}-2-(3,5-dimethyl-phenyl)-1H-indol-5-yl]-2-methyl-propan-1-one
CID 44380625
1-(2-Aza-bicyclo[2.2.2]oct-2-yl)-2-(2-(3,5-dimethyl-phenyl)-3-{(S)-1-methyl-2-[2-(2-trifluoromethyl-1H-benzoimidazol-5-yl)-ethylamino]-ethyl}-1H-indol-5-yl)-2-methyl-propan-1-one
CID 44380681
7,9-Dimethyl-2-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-3,5-dihydropyrido[2,3-b][1,4]diazepin-4-one
CID 10092142
N-(3-(1-(6-aminopyrimidin-4-yl)-1H-benzo[d]imidazol-2-ylamino)-4-methylphenyl)-3-(4-ethylpiperazin-1-yl)-5-(trifluoromethyl)benzamide
CID 15949048
N,N'-bis[[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]hexanediamide
CID 56954729
N,N'-bis[[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]octanediamide
CID 56954730
N,N'-bis[[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]dodecanediamide
CID 56954831
2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-N-pyridin-2-ylbenzamide
CID 57329097
2-[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]-N-phenylacetamide
CID 58344912

Frequently Asked Questions

What is the IUPAC name of N-[6-[1-[(2-methylphenyl)methyl]benzimidazol-5-yl]-2-pyridinyl]-2-phenylacetamide;N-[6-[3-[(2-methylphenyl)methyl]benzimidazol-5-yl]-2-pyridinyl]-2-phenylacetamide?
The IUPAC name of N-[6-[1-[(2-methylphenyl)methyl]benzimidazol-5-yl]-2-pyridinyl]-2-phenylacetamide;N-[6-[3-[(2-methylphenyl)methyl]benzimidazol-5-yl]-2-pyridinyl]-2-phenylacetamide (CID 161231093) is N-[6-[1-[(2-methylphenyl)methyl]benzimidazol-5-yl]-2-pyridinyl]-2-phenylacetamide;N-[6-[3-[(2-methylphenyl)methyl]benzimidazol-5-yl]-2-pyridinyl]-2-phenylacetamide.
What is the SMILES notation for N-[6-[1-[(2-methylphenyl)methyl]benzimidazol-5-yl]-2-pyridinyl]-2-phenylacetamide;N-[6-[3-[(2-methylphenyl)methyl]benzimidazol-5-yl]-2-pyridinyl]-2-phenylacetamide?
The canonical SMILES for N-[6-[1-[(2-methylphenyl)methyl]benzimidazol-5-yl]-2-pyridinyl]-2-phenylacetamide;N-[6-[3-[(2-methylphenyl)methyl]benzimidazol-5-yl]-2-pyridinyl]-2-phenylacetamide is Cc1ccccc1Cn1cnc2cc(-c3cccc(NC(=O)Cc4ccccc4)n3)ccc21.Cc1ccccc1Cn1cnc2ccc(-c3cccc(NC(=O)Cc4ccccc4)n3)cc21.
What is the InChIKey of N-[6-[1-[(2-methylphenyl)methyl]benzimidazol-5-yl]-2-pyridinyl]-2-phenylacetamide;N-[6-[3-[(2-methylphenyl)methyl]benzimidazol-5-yl]-2-pyridinyl]-2-phenylacetamide?
The InChIKey is UYTIIMAWUDPQDT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C28H24N4O/c1-20-8-5-6-11-23(20)18-32-19-29-25-17-22(14-15-26(25)32)24-12-7-13-27(30-24)31-28(33)16-21-9-3-2-4-10-21;1-20-8-5-6-11-23(20)18-32-19-29-25-15-14-22(17-26(25)32)24-12-7-13-27(30-24)31-28(33)16-21-9-3-2-4-10-21/h2*2-15,17,19H,16,18H2,1H3,(H,30,31,33).
What are the key properties of N-[6-[1-[(2-methylphenyl)methyl]benzimidazol-5-yl]-2-pyridinyl]-2-phenylacetamide;N-[6-[3-[(2-methylphenyl)methyl]benzimidazol-5-yl]-2-pyridinyl]-2-phenylacetamide?
N-[6-[1-[(2-methylphenyl)methyl]benzimidazol-5-yl]-2-pyridinyl]-2-phenylacetamide;N-[6-[3-[(2-methylphenyl)methyl]benzimidazol-5-yl]-2-pyridinyl]-2-phenylacetamide has a molecular weight of 865.05 g/mol, XLogP of 11.27, 12 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[1-[(2-methylphenyl)methyl]benzimidazol-5-yl]-2-pyridinyl]-2-phenylacetamide;N-[6-[3-[(2-methylphenyl)methyl]benzimidazol-5-yl]-2-pyridinyl]-2-phenylacetamide is sourced from PubChem (CID 161231093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).