4-(1H-benzimidazol-2-ylmethoxy)-N-benzyl-3-[(2,4-dichlorophenyl)methoxy]benzamide

C29H23Cl2N3O3 — CID 59874743

IUPAC4-(1H-benzimidazol-2-ylmethoxy)-N-benzyl-3-[(2,4-dichlorophenyl)methoxy]benzamide
SMILESO=C(NCc1ccccc1)c1ccc(OCc2nc3ccccc3[nH]2)c(OCc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C29H23Cl2N3O3/c30-22-12-10-21(23(31)15-22)17-36-27-14-20(29(35)32-16-19-6-2-1-3-7-19)11-13-26(27)37-18-28-33-24-8-4-5-9-25(24)34-28/h1-15H,16-18H2,(H,32,35)(H,33,34)
InChIKeyOLKLWVZBHBLTPG-UHFFFAOYSA-N
MW532.43 g/mol
LogP6.96
Rot. Bonds9

About 4-(1H-benzimidazol-2-ylmethoxy)-N-benzyl-3-[(2,4-dichlorophenyl)methoxy]benzamide

4-(1H-benzimidazol-2-ylmethoxy)-N-benzyl-3-[(2,4-dichlorophenyl)methoxy]benzamide (PubChem CID 59874743) has the molecular formula C29H23Cl2N3O3 and a molecular weight of 532.43 g/mol. Its IUPAC name is 4-(1H-benzimidazol-2-ylmethoxy)-N-benzyl-3-[(2,4-dichlorophenyl)methoxy]benzamide.

Molecular Properties

Compound Name4-(1H-benzimidazol-2-ylmethoxy)-N-benzyl-3-[(2,4-dichlorophenyl)methoxy]benzamide
PubChem CID59874743
Molecular FormulaC29H23Cl2N3O3
Molecular Weight532.43 g/mol
Exact Mass531.11
IUPAC Name4-(1H-benzimidazol-2-ylmethoxy)-N-benzyl-3-[(2,4-dichlorophenyl)methoxy]benzamide
SMILESO=C(NCc1ccccc1)c1ccc(OCc2nc3ccccc3[nH]2)c(OCc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C29H23Cl2N3O3/c30-22-12-10-21(23(31)15-22)17-36-27-14-20(29(35)32-16-19-6-2-1-3-7-19)11-13-26(27)37-18-28-33-24-8-4-5-9-25(24)34-28/h1-15H,16-18H2,(H,32,35)(H,33,34)
InChIKeyOLKLWVZBHBLTPG-UHFFFAOYSA-N
XLogP6.96
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.43
LogP ≤ 56.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1H-benzimidazol-2-ylmethoxy)-N-(cyclopropylmethyl)-3-[(2,4-dichlorophenyl)methoxy]benzamide
CID 59874735
N-(1H-benzimidazol-2-ylmethyl)-1-[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methanamine
CID 66526676
N-(1H-benzimidazol-2-ylmethyl)-1-[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methanamine
CID 66526653
2-(1H-benzimidazol-2-yl)-N-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methyl]ethanamine
CID 66526965
3-(1H-benzimidazol-2-yl)-N-[[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]propan-1-amine
CID 66528626
2-[(2,4-dichlorophenoxy)methyl]-3H-benzimidazole-5-carboxylic acid
CID 24812205
4-(1H-benzimidazol-2-ylmethoxy)-3-[(2-bromophenyl)methoxy]benzoic acid
CID 59874737
3-(1H-benzimidazol-2-yl)-N-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]propan-1-amine
CID 66528622
2-(1H-benzimidazol-2-yl)-N-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]ethanamine
CID 66526990
N-(1H-benzimidazol-2-ylmethyl)-1-[5-chloro-2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methanamine
CID 66527055
2-(1H-benzimidazol-2-yl)-N-[[2-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]ethanamine
CID 66537131
2-(1H-benzimidazol-2-yl)-N-[[2-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]ethanamine
CID 66537551

Frequently Asked Questions

What is the IUPAC name of 4-(1H-benzimidazol-2-ylmethoxy)-N-benzyl-3-[(2,4-dichlorophenyl)methoxy]benzamide?
The IUPAC name of 4-(1H-benzimidazol-2-ylmethoxy)-N-benzyl-3-[(2,4-dichlorophenyl)methoxy]benzamide (CID 59874743) is 4-(1H-benzimidazol-2-ylmethoxy)-N-benzyl-3-[(2,4-dichlorophenyl)methoxy]benzamide.
What is the SMILES notation for 4-(1H-benzimidazol-2-ylmethoxy)-N-benzyl-3-[(2,4-dichlorophenyl)methoxy]benzamide?
The canonical SMILES for 4-(1H-benzimidazol-2-ylmethoxy)-N-benzyl-3-[(2,4-dichlorophenyl)methoxy]benzamide is O=C(NCc1ccccc1)c1ccc(OCc2nc3ccccc3[nH]2)c(OCc2ccc(Cl)cc2Cl)c1.
What is the InChIKey of 4-(1H-benzimidazol-2-ylmethoxy)-N-benzyl-3-[(2,4-dichlorophenyl)methoxy]benzamide?
The InChIKey is OLKLWVZBHBLTPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23Cl2N3O3/c30-22-12-10-21(23(31)15-22)17-36-27-14-20(29(35)32-16-19-6-2-1-3-7-19)11-13-26(27)37-18-28-33-24-8-4-5-9-25(24)34-28/h1-15H,16-18H2,(H,32,35)(H,33,34).
What are the key properties of 4-(1H-benzimidazol-2-ylmethoxy)-N-benzyl-3-[(2,4-dichlorophenyl)methoxy]benzamide?
4-(1H-benzimidazol-2-ylmethoxy)-N-benzyl-3-[(2,4-dichlorophenyl)methoxy]benzamide has a molecular weight of 532.43 g/mol, XLogP of 6.96, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-benzimidazol-2-ylmethoxy)-N-benzyl-3-[(2,4-dichlorophenyl)methoxy]benzamide is sourced from PubChem (CID 59874743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).