methyl 2-[4-(dipropylsulfamoyl)-2-ethoxyphenyl]-3H-benzimidazole-5-carboxylate

C23H29N3O5S — CID 70494047

IUPACmethyl 2-[4-(dipropylsulfamoyl)-2-ethoxyphenyl]-3H-benzimidazole-5-carboxylate
SMILESCCCN(CCC)S(=O)(=O)c1ccc(-c2nc3ccc(C(=O)OC)cc3[nH]2)c(OCC)c1
InChIInChI=1S/C23H29N3O5S/c1-5-12-26(13-6-2)32(28,29)17-9-10-18(21(15-17)31-7-3)22-24-19-11-8-16(23(27)30-4)14-20(19)25-22/h8-11,14-15H,5-7,12-13H2,1-4H3,(H,24,25)
InChIKeyZUKAXVAMLWQMQN-UHFFFAOYSA-N
MW459.57 g/mol
LogP4.23
Rot. Bonds10

About methyl 2-[4-(dipropylsulfamoyl)-2-ethoxyphenyl]-3H-benzimidazole-5-carboxylate

methyl 2-[4-(dipropylsulfamoyl)-2-ethoxyphenyl]-3H-benzimidazole-5-carboxylate (PubChem CID 70494047) has the molecular formula C23H29N3O5S and a molecular weight of 459.57 g/mol. Its IUPAC name is methyl 2-[4-(dipropylsulfamoyl)-2-ethoxyphenyl]-3H-benzimidazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-[4-(dipropylsulfamoyl)-2-ethoxyphenyl]-3H-benzimidazole-5-carboxylate
PubChem CID70494047
Molecular FormulaC23H29N3O5S
Molecular Weight459.57 g/mol
Exact Mass459.18
IUPAC Namemethyl 2-[4-(dipropylsulfamoyl)-2-ethoxyphenyl]-3H-benzimidazole-5-carboxylate
SMILESCCCN(CCC)S(=O)(=O)c1ccc(-c2nc3ccc(C(=O)OC)cc3[nH]2)c(OCC)c1
InChIInChI=1S/C23H29N3O5S/c1-5-12-26(13-6-2)32(28,29)17-9-10-18(21(15-17)31-7-3)22-24-19-11-8-16(23(27)30-4)14-20(19)25-22/h8-11,14-15H,5-7,12-13H2,1-4H3,(H,24,25)
InChIKeyZUKAXVAMLWQMQN-UHFFFAOYSA-N
XLogP4.23
TPSA101.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.57
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-phenyl-N,N-dipropyl-3H-benzimidazole-5-sulfonamide
CID 15995775
methyl 2-(3-ethoxyphenyl)-3H-benzimidazole-5-carboxylate
CID 91902839
methyl 2-(4-propoxyphenyl)-3H-benzimidazole-5-carboxylate
CID 91902829
methyl 2-(2,3-dimethylphenyl)-3H-benzimidazole-5-carboxylate
CID 46995977
methyl 2-(4-aminophenyl)-3H-benzimidazole-5-carboxylate
CID 4915421
N-(2-ethoxyphenyl)-2-[methyl-[(2-phenyl-3H-benzimidazol-5-yl)sulfonyl]amino]acetamide
CID 22552071
methyl 2-anthracen-1-yl-3H-benzimidazole-5-carboxylate
CID 175322054
methyl 2-(5-bromonaphthalen-1-yl)-3H-benzimidazole-5-carboxylate
CID 91673779
methyl 2-(4-methoxyphenyl)-3H-benzimidazole-5-carboxylate
CID 1229665
N-[3-(diethylamino)propyl]-3-ethoxy-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]benzamide
CID 21101104
2-(dimethylamino)ethyl 2-[4-[6-[2-(dimethylamino)ethoxycarbonyl]-1H-benzimidazol-2-yl]-2,5-dimethoxyphenyl]-3H-benzimidazole-5-carboxylate
CID 138618318
3-(dipropylsulfamoyl)-N-(2-ethoxyphenyl)benzamide
CID 2591009

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(dipropylsulfamoyl)-2-ethoxyphenyl]-3H-benzimidazole-5-carboxylate?
The IUPAC name of methyl 2-[4-(dipropylsulfamoyl)-2-ethoxyphenyl]-3H-benzimidazole-5-carboxylate (CID 70494047) is methyl 2-[4-(dipropylsulfamoyl)-2-ethoxyphenyl]-3H-benzimidazole-5-carboxylate.
What is the SMILES notation for methyl 2-[4-(dipropylsulfamoyl)-2-ethoxyphenyl]-3H-benzimidazole-5-carboxylate?
The canonical SMILES for methyl 2-[4-(dipropylsulfamoyl)-2-ethoxyphenyl]-3H-benzimidazole-5-carboxylate is CCCN(CCC)S(=O)(=O)c1ccc(-c2nc3ccc(C(=O)OC)cc3[nH]2)c(OCC)c1.
What is the InChIKey of methyl 2-[4-(dipropylsulfamoyl)-2-ethoxyphenyl]-3H-benzimidazole-5-carboxylate?
The InChIKey is ZUKAXVAMLWQMQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O5S/c1-5-12-26(13-6-2)32(28,29)17-9-10-18(21(15-17)31-7-3)22-24-19-11-8-16(23(27)30-4)14-20(19)25-22/h8-11,14-15H,5-7,12-13H2,1-4H3,(H,24,25).
What are the key properties of methyl 2-[4-(dipropylsulfamoyl)-2-ethoxyphenyl]-3H-benzimidazole-5-carboxylate?
methyl 2-[4-(dipropylsulfamoyl)-2-ethoxyphenyl]-3H-benzimidazole-5-carboxylate has a molecular weight of 459.57 g/mol, XLogP of 4.23, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(dipropylsulfamoyl)-2-ethoxyphenyl]-3H-benzimidazole-5-carboxylate is sourced from PubChem (CID 70494047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).