N-(2-aminophenyl)-4-[(6-methoxy-1-methylbenzimidazol-2-yl)sulfinylmethyl]benzamide

C23H22N4O3S — CID 58926774

IUPACN-(2-aminophenyl)-4-[(6-methoxy-1-methylbenzimidazol-2-yl)sulfinylmethyl]benzamide
SMILESCOc1ccc2nc(S(=O)Cc3ccc(C(=O)Nc4ccccc4N)cc3)n(C)c2c1
InChIInChI=1S/C23H22N4O3S/c1-27-21-13-17(30-2)11-12-20(21)26-23(27)31(29)14-15-7-9-16(10-8-15)22(28)25-19-6-4-3-5-18(19)24/h3-13H,14,24H2,1-2H3,(H,25,28)
InChIKeyGQHJCSCZQRMUNU-UHFFFAOYSA-N
MW434.52 g/mol
LogP3.72
Rot. Bonds6

About N-(2-aminophenyl)-4-[(6-methoxy-1-methylbenzimidazol-2-yl)sulfinylmethyl]benzamide

N-(2-aminophenyl)-4-[(6-methoxy-1-methylbenzimidazol-2-yl)sulfinylmethyl]benzamide (PubChem CID 58926774) has the molecular formula C23H22N4O3S and a molecular weight of 434.52 g/mol. Its IUPAC name is N-(2-aminophenyl)-4-[(6-methoxy-1-methylbenzimidazol-2-yl)sulfinylmethyl]benzamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-4-[(6-methoxy-1-methylbenzimidazol-2-yl)sulfinylmethyl]benzamide
PubChem CID58926774
Molecular FormulaC23H22N4O3S
Molecular Weight434.52 g/mol
Exact Mass434.14
IUPAC NameN-(2-aminophenyl)-4-[(6-methoxy-1-methylbenzimidazol-2-yl)sulfinylmethyl]benzamide
SMILESCOc1ccc2nc(S(=O)Cc3ccc(C(=O)Nc4ccccc4N)cc3)n(C)c2c1
InChIInChI=1S/C23H22N4O3S/c1-27-21-13-17(30-2)11-12-20(21)26-23(27)31(29)14-15-7-9-16(10-8-15)22(28)25-19-6-4-3-5-18(19)24/h3-13H,14,24H2,1-2H3,(H,25,28)
InChIKeyGQHJCSCZQRMUNU-UHFFFAOYSA-N
XLogP3.72
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.52
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2-aminophenyl)-4-[(6-methoxy-1-methylbenzimidazol-2-yl)sulfanylmethyl]benzamide;ethane
CID 143508693
N-(2-aminophenyl)-4-[(4-methoxy-2-methylanilino)methyl]benzamide
CID 22478761
N-(2-aminophenyl)-4-[(5-methoxy-2-sulfanylidene-3H-benzimidazol-1-yl)methyl]benzamide
CID 11682859
N-(2-aminophenyl)-4-[(3-methoxyanilino)methyl]benzamide
CID 22478895
N-(2-amino-4-methoxyphenyl)naphthalene-2-carboxamide
CID 16775616
N-(2-aminophenyl)-4-(3-naphthalen-2-yl-3-oxopropyl)benzamide
CID 160785018
3-amino-4-[(4-methoxybenzoyl)amino]benzoic acid
CID 63117294
N-(2-aminophenyl)-4-[(3-methoxyindazol-2-yl)methyl]benzamide
CID 59341329
N-(2-amino-4-methoxyphenyl)pyridine-4-carboxamide
CID 16776915
N-(2-amino-5-methoxyphenyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide
CID 119420648
N-(2-aminophenyl)-4-[[(2,6-dimethoxypyrimidin-4-yl)amino]methyl]benzamide
CID 22478791
4-[[2-amino-4-[(3-methoxyphenyl)methylamino]pyrrolo[2,3-d]pyrimidin-7-yl]methyl]-N-(2-aminophenyl)benzamide
CID 162670161

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-4-[(6-methoxy-1-methylbenzimidazol-2-yl)sulfinylmethyl]benzamide?
The IUPAC name of N-(2-aminophenyl)-4-[(6-methoxy-1-methylbenzimidazol-2-yl)sulfinylmethyl]benzamide (CID 58926774) is N-(2-aminophenyl)-4-[(6-methoxy-1-methylbenzimidazol-2-yl)sulfinylmethyl]benzamide.
What is the SMILES notation for N-(2-aminophenyl)-4-[(6-methoxy-1-methylbenzimidazol-2-yl)sulfinylmethyl]benzamide?
The canonical SMILES for N-(2-aminophenyl)-4-[(6-methoxy-1-methylbenzimidazol-2-yl)sulfinylmethyl]benzamide is COc1ccc2nc(S(=O)Cc3ccc(C(=O)Nc4ccccc4N)cc3)n(C)c2c1.
What is the InChIKey of N-(2-aminophenyl)-4-[(6-methoxy-1-methylbenzimidazol-2-yl)sulfinylmethyl]benzamide?
The InChIKey is GQHJCSCZQRMUNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O3S/c1-27-21-13-17(30-2)11-12-20(21)26-23(27)31(29)14-15-7-9-16(10-8-15)22(28)25-19-6-4-3-5-18(19)24/h3-13H,14,24H2,1-2H3,(H,25,28).
What are the key properties of N-(2-aminophenyl)-4-[(6-methoxy-1-methylbenzimidazol-2-yl)sulfinylmethyl]benzamide?
N-(2-aminophenyl)-4-[(6-methoxy-1-methylbenzimidazol-2-yl)sulfinylmethyl]benzamide has a molecular weight of 434.52 g/mol, XLogP of 3.72, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-4-[(6-methoxy-1-methylbenzimidazol-2-yl)sulfinylmethyl]benzamide is sourced from PubChem (CID 58926774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).