N-(3,5-dichloro-4-pyridinyl)-2-[2-[(1S)-1,2-diphenylethyl]-7-methoxy-1H-benzimidazol-4-yl]acetamide

C29H24Cl2N4O2 — CID 139836002

IUPACN-(3,5-dichloro-4-pyridinyl)-2-[2-[(1S)-1,2-diphenylethyl]-7-methoxy-1H-benzimidazol-4-yl]acetamide
SMILESCOc1ccc(CC(=O)Nc2c(Cl)cncc2Cl)c2nc([C@@H](Cc3ccccc3)c3ccccc3)[nH]c12
InChIInChI=1S/C29H24Cl2N4O2/c1-37-24-13-12-20(15-25(36)33-27-22(30)16-32-17-23(27)31)26-28(24)35-29(34-26)21(19-10-6-3-7-11-19)14-18-8-4-2-5-9-18/h2-13,16-17,21H,14-15H2,1H3,(H,34,35)(H,32,33,36)/t21-/m0/s1
InChIKeyWYNVRUJITSXTGI-NRFANRHFSA-N
MW531.44 g/mol
LogP6.83
Rot. Bonds8

About N-(3,5-dichloro-4-pyridinyl)-2-[2-[(1S)-1,2-diphenylethyl]-7-methoxy-1H-benzimidazol-4-yl]acetamide

N-(3,5-dichloro-4-pyridinyl)-2-[2-[(1S)-1,2-diphenylethyl]-7-methoxy-1H-benzimidazol-4-yl]acetamide (PubChem CID 139836002) has the molecular formula C29H24Cl2N4O2 and a molecular weight of 531.44 g/mol. Its IUPAC name is N-(3,5-dichloro-4-pyridinyl)-2-[2-[(1S)-1,2-diphenylethyl]-7-methoxy-1H-benzimidazol-4-yl]acetamide.

Molecular Properties

Compound NameN-(3,5-dichloro-4-pyridinyl)-2-[2-[(1S)-1,2-diphenylethyl]-7-methoxy-1H-benzimidazol-4-yl]acetamide
PubChem CID139836002
Molecular FormulaC29H24Cl2N4O2
Molecular Weight531.44 g/mol
Exact Mass530.13
IUPAC NameN-(3,5-dichloro-4-pyridinyl)-2-[2-[(1S)-1,2-diphenylethyl]-7-methoxy-1H-benzimidazol-4-yl]acetamide
SMILESCOc1ccc(CC(=O)Nc2c(Cl)cncc2Cl)c2nc([C@@H](Cc3ccccc3)c3ccccc3)[nH]c12
InChIInChI=1S/C29H24Cl2N4O2/c1-37-24-13-12-20(15-25(36)33-27-22(30)16-32-17-23(27)31)26-28(24)35-29(34-26)21(19-10-6-3-7-11-19)14-18-8-4-2-5-9-18/h2-13,16-17,21H,14-15H2,1H3,(H,34,35)(H,32,33,36)/t21-/m0/s1
InChIKeyWYNVRUJITSXTGI-NRFANRHFSA-N
XLogP6.83
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.44
LogP ≤ 56.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(3,5-dichloro-4-pyridinyl)-2-[2-[(1S)-1,2-diphenylethyl]-7-methoxy-1H-benzimidazol-4-yl]acetamide 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

2-(2-cyclopentyl-7-methoxy-1-methylbenzimidazol-4-yl)-N-(3,5-dichloro-4-pyridinyl)acetamide
CID 139836050
methyl 7-methoxy-2-propan-2-yl-1H-benzimidazole-4-carboxylate
CID 22663368
2-(3,4-dimethoxyphenyl)-N-[6-(1-phenylethylamino)pyridazin-3-yl]acetamide
CID 113041197
2-(7-methoxy-1H-benzimidazol-4-yl)acetic acid
CID 131407690
N-(3,5-dichloro-4-pyridinyl)-4-methoxy-2-propan-2-yl-1,3-dihydrobenzimidazole-2-carboxamide
CID 70242563
1-benzhydryl-3-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)urea
CID 121082762
N-(4-amino-2-bromo-6-methoxyphenyl)-2-phenylacetamide
CID 100828478
N-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-2-phenylacetamide
CID 9468421
(2R)-N-(2,6-dichlorophenyl)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 28538422
N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-2-naphthalen-2-ylacetamide
CID 16849484
2-(2-methoxyphenyl)-N-(2,4,5-trichlorophenyl)acetamide
CID 3375078
N-[2,6-di(propan-2-yl)phenyl]-2-(2-methoxyphenyl)acetamide
CID 4793295

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichloro-4-pyridinyl)-2-[2-[(1S)-1,2-diphenylethyl]-7-methoxy-1H-benzimidazol-4-yl]acetamide?
The IUPAC name of N-(3,5-dichloro-4-pyridinyl)-2-[2-[(1S)-1,2-diphenylethyl]-7-methoxy-1H-benzimidazol-4-yl]acetamide (CID 139836002) is N-(3,5-dichloro-4-pyridinyl)-2-[2-[(1S)-1,2-diphenylethyl]-7-methoxy-1H-benzimidazol-4-yl]acetamide.
What is the SMILES notation for N-(3,5-dichloro-4-pyridinyl)-2-[2-[(1S)-1,2-diphenylethyl]-7-methoxy-1H-benzimidazol-4-yl]acetamide?
The canonical SMILES for N-(3,5-dichloro-4-pyridinyl)-2-[2-[(1S)-1,2-diphenylethyl]-7-methoxy-1H-benzimidazol-4-yl]acetamide is COc1ccc(CC(=O)Nc2c(Cl)cncc2Cl)c2nc([C@@H](Cc3ccccc3)c3ccccc3)[nH]c12.
What is the InChIKey of N-(3,5-dichloro-4-pyridinyl)-2-[2-[(1S)-1,2-diphenylethyl]-7-methoxy-1H-benzimidazol-4-yl]acetamide?
The InChIKey is WYNVRUJITSXTGI-NRFANRHFSA-N. The full InChI is InChI=1S/C29H24Cl2N4O2/c1-37-24-13-12-20(15-25(36)33-27-22(30)16-32-17-23(27)31)26-28(24)35-29(34-26)21(19-10-6-3-7-11-19)14-18-8-4-2-5-9-18/h2-13,16-17,21H,14-15H2,1H3,(H,34,35)(H,32,33,36)/t21-/m0/s1.
What are the key properties of N-(3,5-dichloro-4-pyridinyl)-2-[2-[(1S)-1,2-diphenylethyl]-7-methoxy-1H-benzimidazol-4-yl]acetamide?
N-(3,5-dichloro-4-pyridinyl)-2-[2-[(1S)-1,2-diphenylethyl]-7-methoxy-1H-benzimidazol-4-yl]acetamide has a molecular weight of 531.44 g/mol, XLogP of 6.83, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichloro-4-pyridinyl)-2-[2-[(1S)-1,2-diphenylethyl]-7-methoxy-1H-benzimidazol-4-yl]acetamide is sourced from PubChem (CID 139836002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).