4-[(2-benzyl-5,6-dichlorobenzimidazol-1-yl)methyl]-N-(2-morpholin-4-ylethyl)benzamide

C28H28Cl2N4O2 — CID 83289834

IUPAC4-[(2-benzyl-5,6-dichlorobenzimidazol-1-yl)methyl]-N-(2-morpholin-4-ylethyl)benzamide
SMILESO=C(NCCN1CCOCC1)c1ccc(Cn2c(Cc3ccccc3)nc3cc(Cl)c(Cl)cc32)cc1
InChIInChI=1S/C28H28Cl2N4O2/c29-23-17-25-26(18-24(23)30)34(27(32-25)16-20-4-2-1-3-5-20)19-21-6-8-22(9-7-21)28(35)31-10-11-33-12-14-36-15-13-33/h1-9,17-18H,10-16,19H2,(H,31,35)
InChIKeyRWIKFHZMVBVEQV-UHFFFAOYSA-N
MW523.46 g/mol
LogP5.04
Rot. Bonds8

About 4-[(2-benzyl-5,6-dichlorobenzimidazol-1-yl)methyl]-N-(2-morpholin-4-ylethyl)benzamide

4-[(2-benzyl-5,6-dichlorobenzimidazol-1-yl)methyl]-N-(2-morpholin-4-ylethyl)benzamide (PubChem CID 83289834) has the molecular formula C28H28Cl2N4O2 and a molecular weight of 523.46 g/mol. Its IUPAC name is 4-[(2-benzyl-5,6-dichlorobenzimidazol-1-yl)methyl]-N-(2-morpholin-4-ylethyl)benzamide.

Molecular Properties

Compound Name4-[(2-benzyl-5,6-dichlorobenzimidazol-1-yl)methyl]-N-(2-morpholin-4-ylethyl)benzamide
PubChem CID83289834
Molecular FormulaC28H28Cl2N4O2
Molecular Weight523.46 g/mol
Exact Mass522.16
IUPAC Name4-[(2-benzyl-5,6-dichlorobenzimidazol-1-yl)methyl]-N-(2-morpholin-4-ylethyl)benzamide
SMILESO=C(NCCN1CCOCC1)c1ccc(Cn2c(Cc3ccccc3)nc3cc(Cl)c(Cl)cc32)cc1
InChIInChI=1S/C28H28Cl2N4O2/c29-23-17-25-26(18-24(23)30)34(27(32-25)16-20-4-2-1-3-5-20)19-21-6-8-22(9-7-21)28(35)31-10-11-33-12-14-36-15-13-33/h1-9,17-18H,10-16,19H2,(H,31,35)
InChIKeyRWIKFHZMVBVEQV-UHFFFAOYSA-N
XLogP5.04
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.46
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-benzyl-N-(2-morpholin-4-ylethyl)-2-phenylbenzimidazole-5-carboxamide
CID 141496217
2-[5,6-dichloro-2-[(2-fluorophenyl)methyl]benzimidazol-1-yl]-N-(2-morpholin-4-ylethyl)butanamide
CID 83281530
(2S)-2-[5,6-dichloro-2-[(2,6-dichlorophenyl)methyl]benzimidazol-1-yl]-N-(2-morpholin-4-ylethyl)propanamide
CID 98229906
3-[2-[(3-chlorophenyl)methyl]benzimidazol-1-yl]-N-(2-morpholin-4-ylethyl)propanamide
CID 42810075
N-[2-[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 16975738
3-[5,6-dichloro-2-[(2-fluorophenyl)methyl]benzimidazol-1-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide
CID 83289041
3-(2-benzyl-5,6-dichlorobenzimidazol-1-yl)-N-(2-methoxyethyl)propanamide
CID 83284107
3,4-dichloro-N-(3-morpholin-4-ylpropyl)benzamide
CID 3328171
4-N-benzyl-4-N-methyl-1-N-(2-morpholin-4-ylethyl)benzene-1,4-dicarboxamide
CID 109045869
N-benzyl-4-(morpholin-4-ylmethyl)benzamide
CID 786772
2-chloro-N-(2-morpholin-4-ylethyl)benzamide
CID 799090
2-[2-(furan-2-carbonylamino)ethyl]-1-(2-morpholin-4-ylethyl)benzimidazole-5-carboxylic acid
CID 42669779

Frequently Asked Questions

What is the IUPAC name of 4-[(2-benzyl-5,6-dichlorobenzimidazol-1-yl)methyl]-N-(2-morpholin-4-ylethyl)benzamide?
The IUPAC name of 4-[(2-benzyl-5,6-dichlorobenzimidazol-1-yl)methyl]-N-(2-morpholin-4-ylethyl)benzamide (CID 83289834) is 4-[(2-benzyl-5,6-dichlorobenzimidazol-1-yl)methyl]-N-(2-morpholin-4-ylethyl)benzamide.
What is the SMILES notation for 4-[(2-benzyl-5,6-dichlorobenzimidazol-1-yl)methyl]-N-(2-morpholin-4-ylethyl)benzamide?
The canonical SMILES for 4-[(2-benzyl-5,6-dichlorobenzimidazol-1-yl)methyl]-N-(2-morpholin-4-ylethyl)benzamide is O=C(NCCN1CCOCC1)c1ccc(Cn2c(Cc3ccccc3)nc3cc(Cl)c(Cl)cc32)cc1.
What is the InChIKey of 4-[(2-benzyl-5,6-dichlorobenzimidazol-1-yl)methyl]-N-(2-morpholin-4-ylethyl)benzamide?
The InChIKey is RWIKFHZMVBVEQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28Cl2N4O2/c29-23-17-25-26(18-24(23)30)34(27(32-25)16-20-4-2-1-3-5-20)19-21-6-8-22(9-7-21)28(35)31-10-11-33-12-14-36-15-13-33/h1-9,17-18H,10-16,19H2,(H,31,35).
What are the key properties of 4-[(2-benzyl-5,6-dichlorobenzimidazol-1-yl)methyl]-N-(2-morpholin-4-ylethyl)benzamide?
4-[(2-benzyl-5,6-dichlorobenzimidazol-1-yl)methyl]-N-(2-morpholin-4-ylethyl)benzamide has a molecular weight of 523.46 g/mol, XLogP of 5.04, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-benzyl-5,6-dichlorobenzimidazol-1-yl)methyl]-N-(2-morpholin-4-ylethyl)benzamide is sourced from PubChem (CID 83289834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).