5-[[2-(methoxymethyl)benzimidazol-1-yl]methyl]-N-methylsulfonyl-2-phenylbenzamide

C24H23N3O4S — CID 19433298

IUPAC5-[[2-(methoxymethyl)benzimidazol-1-yl]methyl]-N-methylsulfonyl-2-phenylbenzamide
SMILESCOCc1nc2ccccc2n1Cc1ccc(-c2ccccc2)c(C(=O)NS(C)(=O)=O)c1
InChIInChI=1S/C24H23N3O4S/c1-31-16-23-25-21-10-6-7-11-22(21)27(23)15-17-12-13-19(18-8-4-3-5-9-18)20(14-17)24(28)26-32(2,29)30/h3-14H,15-16H2,1-2H3,(H,26,28)
InChIKeyPBVWOEXKSGHYPR-UHFFFAOYSA-N
MW449.53 g/mol
LogP3.59
Rot. Bonds7

About 5-[[2-(methoxymethyl)benzimidazol-1-yl]methyl]-N-methylsulfonyl-2-phenylbenzamide

5-[[2-(methoxymethyl)benzimidazol-1-yl]methyl]-N-methylsulfonyl-2-phenylbenzamide (PubChem CID 19433298) has the molecular formula C24H23N3O4S and a molecular weight of 449.53 g/mol. Its IUPAC name is 5-[[2-(methoxymethyl)benzimidazol-1-yl]methyl]-N-methylsulfonyl-2-phenylbenzamide.

Molecular Properties

Compound Name5-[[2-(methoxymethyl)benzimidazol-1-yl]methyl]-N-methylsulfonyl-2-phenylbenzamide
PubChem CID19433298
Molecular FormulaC24H23N3O4S
Molecular Weight449.53 g/mol
Exact Mass449.14
IUPAC Name5-[[2-(methoxymethyl)benzimidazol-1-yl]methyl]-N-methylsulfonyl-2-phenylbenzamide
SMILESCOCc1nc2ccccc2n1Cc1ccc(-c2ccccc2)c(C(=O)NS(C)(=O)=O)c1
InChIInChI=1S/C24H23N3O4S/c1-31-16-23-25-21-10-6-7-11-22(21)27(23)15-17-12-13-19(18-8-4-3-5-9-18)20(14-17)24(28)26-32(2,29)30/h3-14H,15-16H2,1-2H3,(H,26,28)
InChIKeyPBVWOEXKSGHYPR-UHFFFAOYSA-N
XLogP3.59
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.53
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[4-[[2-(methoxymethyl)benzimidazol-1-yl]methyl]phenyl]methanamine
CID 82150134
methyl 2-ethyl-3-[[3-(nitrosocarbamoyl)-4-phenylphenyl]methyl]benzimidazole-4-carboxylate
CID 139619620
N-[2-(1-benzylbenzimidazol-2-yl)ethyl]-2-methoxyacetamide
CID 16974552
4-methoxy-N-[2-[1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]ethyl]benzamide
CID 16976709
4-methoxy-N-[[1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]methyl]benzamide
CID 17008719
2-butyl-N-(cyclohexylmethyl)-3-[[4-[2-(methylsulfonylcarbamoyl)phenyl]phenyl]methyl]benzimidazole-5-carboxamide
CID 54070946
2-[4-[[2-(propylsulfanylmethyl)benzimidazol-1-yl]methyl]phenyl]benzoic acid
CID 15069266
N-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]benzamide
CID 17006669
2-[4-[[2-(3-hydroxypropyl)benzimidazol-1-yl]methyl]phenyl]benzoic acid
CID 15069285
N-[(1-benzylbenzimidazol-2-yl)methyl]-4-methoxybenzamide
CID 17008696
N-(benzenesulfonyl)-4-[(2-butylbenzimidazol-1-yl)methyl]benzamide
CID 19806374
2-methoxy-N-[[1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]methyl]benzamide
CID 17007607

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(methoxymethyl)benzimidazol-1-yl]methyl]-N-methylsulfonyl-2-phenylbenzamide?
The IUPAC name of 5-[[2-(methoxymethyl)benzimidazol-1-yl]methyl]-N-methylsulfonyl-2-phenylbenzamide (CID 19433298) is 5-[[2-(methoxymethyl)benzimidazol-1-yl]methyl]-N-methylsulfonyl-2-phenylbenzamide.
What is the SMILES notation for 5-[[2-(methoxymethyl)benzimidazol-1-yl]methyl]-N-methylsulfonyl-2-phenylbenzamide?
The canonical SMILES for 5-[[2-(methoxymethyl)benzimidazol-1-yl]methyl]-N-methylsulfonyl-2-phenylbenzamide is COCc1nc2ccccc2n1Cc1ccc(-c2ccccc2)c(C(=O)NS(C)(=O)=O)c1.
What is the InChIKey of 5-[[2-(methoxymethyl)benzimidazol-1-yl]methyl]-N-methylsulfonyl-2-phenylbenzamide?
The InChIKey is PBVWOEXKSGHYPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O4S/c1-31-16-23-25-21-10-6-7-11-22(21)27(23)15-17-12-13-19(18-8-4-3-5-9-18)20(14-17)24(28)26-32(2,29)30/h3-14H,15-16H2,1-2H3,(H,26,28).
What are the key properties of 5-[[2-(methoxymethyl)benzimidazol-1-yl]methyl]-N-methylsulfonyl-2-phenylbenzamide?
5-[[2-(methoxymethyl)benzimidazol-1-yl]methyl]-N-methylsulfonyl-2-phenylbenzamide has a molecular weight of 449.53 g/mol, XLogP of 3.59, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(methoxymethyl)benzimidazol-1-yl]methyl]-N-methylsulfonyl-2-phenylbenzamide is sourced from PubChem (CID 19433298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).