N-[(5,6-diphenylbenzimidazolo[2,1-a]isoquinolin-2-yl)methyl]benzamide

C35H25N3O — CID 10601586

IUPACN-[(5,6-diphenylbenzimidazolo[2,1-a]isoquinolin-2-yl)methyl]benzamide
SMILESO=C(NCc1ccc2c(-c3ccccc3)c(-c3ccccc3)n3c4ccccc4nc3c2c1)c1ccccc1
InChIInChI=1S/C35H25N3O/c39-35(27-16-8-3-9-17-27)36-23-24-20-21-28-29(22-24)34-37-30-18-10-11-19-31(30)38(34)33(26-14-6-2-7-15-26)32(28)25-12-4-1-5-13-25/h1-22H,23H2,(H,36,39)
InChIKeyPDWNHVLFTCXKME-UHFFFAOYSA-N
MW503.61 g/mol
LogP7.90
Rot. Bonds5

About N-[(5,6-diphenylbenzimidazolo[2,1-a]isoquinolin-2-yl)methyl]benzamide

N-[(5,6-diphenylbenzimidazolo[2,1-a]isoquinolin-2-yl)methyl]benzamide (PubChem CID 10601586) has the molecular formula C35H25N3O and a molecular weight of 503.61 g/mol. Its IUPAC name is N-[(5,6-diphenylbenzimidazolo[2,1-a]isoquinolin-2-yl)methyl]benzamide.

Molecular Properties

Compound NameN-[(5,6-diphenylbenzimidazolo[2,1-a]isoquinolin-2-yl)methyl]benzamide
PubChem CID10601586
Molecular FormulaC35H25N3O
Molecular Weight503.61 g/mol
Exact Mass503.20
IUPAC NameN-[(5,6-diphenylbenzimidazolo[2,1-a]isoquinolin-2-yl)methyl]benzamide
SMILESO=C(NCc1ccc2c(-c3ccccc3)c(-c3ccccc3)n3c4ccccc4nc3c2c1)c1ccccc1
InChIInChI=1S/C35H25N3O/c39-35(27-16-8-3-9-17-27)36-23-24-20-21-28-29(22-24)34-37-30-18-10-11-19-31(30)38(34)33(26-14-6-2-7-15-26)32(28)25-12-4-1-5-13-25/h1-22H,23H2,(H,36,39)
InChIKeyPDWNHVLFTCXKME-UHFFFAOYSA-N
XLogP7.90
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.61
LogP ≤ 57.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-iodo-2H-indazol-5-yl)methyl]benzamide
CID 67451670
N-[(2,4-diaminoquinazolin-6-yl)methyl]benzamide
CID 172623055
N-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]benzamide
CID 17006669
N-(naphthalen-2-ylmethyl)benzamide
CID 47161333
2-(9,10-diphenylanthracen-2-yl)-6-methylbenzimidazolo[1,2-c]quinazoline
CID 129257054
25-phenyl-3,10,17-triazahexacyclo[15.8.0.02,10.04,9.011,16.019,24]pentacosa-1(25),2,4,6,8,11,13,15,19,21,23-undecaen-18-one
CID 165126070
N-[(2,4-diaminoquinazolin-6-yl)methyl]-9-ethylcarbazole-2-carboxamide
CID 172623319
2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-[(4-bromophenyl)methyl]acetamide
CID 126832304
13-phenyl-3,10,23,30-tetrazaheptacyclo[21.7.0.02,10.04,9.011,16.017,22.024,29]triaconta-1(30),2,4,6,8,11(16),12,14,17,19,21,24,26,28-tetradecaene
CID 138474670
N-[2-[[3-(benzimidazol-1-ylmethyl)phenyl]methylamino]-2-oxoethyl]benzamide
CID 155516452
3-[(1-methylbenzimidazol-2-yl)methylcarbamoyl]benzoic acid
CID 75514350
3-[[(4-phenylbenzoyl)amino]methyl]benzoic acid
CID 108767634

Frequently Asked Questions

What is the IUPAC name of N-[(5,6-diphenylbenzimidazolo[2,1-a]isoquinolin-2-yl)methyl]benzamide?
The IUPAC name of N-[(5,6-diphenylbenzimidazolo[2,1-a]isoquinolin-2-yl)methyl]benzamide (CID 10601586) is N-[(5,6-diphenylbenzimidazolo[2,1-a]isoquinolin-2-yl)methyl]benzamide.
What is the SMILES notation for N-[(5,6-diphenylbenzimidazolo[2,1-a]isoquinolin-2-yl)methyl]benzamide?
The canonical SMILES for N-[(5,6-diphenylbenzimidazolo[2,1-a]isoquinolin-2-yl)methyl]benzamide is O=C(NCc1ccc2c(-c3ccccc3)c(-c3ccccc3)n3c4ccccc4nc3c2c1)c1ccccc1.
What is the InChIKey of N-[(5,6-diphenylbenzimidazolo[2,1-a]isoquinolin-2-yl)methyl]benzamide?
The InChIKey is PDWNHVLFTCXKME-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H25N3O/c39-35(27-16-8-3-9-17-27)36-23-24-20-21-28-29(22-24)34-37-30-18-10-11-19-31(30)38(34)33(26-14-6-2-7-15-26)32(28)25-12-4-1-5-13-25/h1-22H,23H2,(H,36,39).
What are the key properties of N-[(5,6-diphenylbenzimidazolo[2,1-a]isoquinolin-2-yl)methyl]benzamide?
N-[(5,6-diphenylbenzimidazolo[2,1-a]isoquinolin-2-yl)methyl]benzamide has a molecular weight of 503.61 g/mol, XLogP of 7.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5,6-diphenylbenzimidazolo[2,1-a]isoquinolin-2-yl)methyl]benzamide is sourced from PubChem (CID 10601586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).