1-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)phenyl]benzimidazole-5-carboxamide

C23H17N3O4 — CID 150792304

IUPAC1-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)phenyl]benzimidazole-5-carboxamide
SMILESNC(=O)c1ccc2c(c1)ncn2-c1ccc(C(=O)c2ccc3c(c2)OCCO3)cc1
InChIInChI=1S/C23H17N3O4/c24-23(28)16-3-7-19-18(11-16)25-13-26(19)17-5-1-14(2-6-17)22(27)15-4-8-20-21(12-15)30-10-9-29-20/h1-8,11-13H,9-10H2,(H2,24,28)
InChIKeyKECIQVJHCJXKPH-UHFFFAOYSA-N
MW399.41 g/mol
LogP3.13
Rot. Bonds4

About 1-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)phenyl]benzimidazole-5-carboxamide

1-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)phenyl]benzimidazole-5-carboxamide (PubChem CID 150792304) has the molecular formula C23H17N3O4 and a molecular weight of 399.41 g/mol. Its IUPAC name is 1-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)phenyl]benzimidazole-5-carboxamide.

Molecular Properties

Compound Name1-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)phenyl]benzimidazole-5-carboxamide
PubChem CID150792304
Molecular FormulaC23H17N3O4
Molecular Weight399.41 g/mol
Exact Mass399.12
IUPAC Name1-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)phenyl]benzimidazole-5-carboxamide
SMILESNC(=O)c1ccc2c(c1)ncn2-c1ccc(C(=O)c2ccc3c(c2)OCCO3)cc1
InChIInChI=1S/C23H17N3O4/c24-23(28)16-3-7-19-18(11-16)25-13-26(19)17-5-1-14(2-6-17)22(27)15-4-8-20-21(12-15)30-10-9-29-20/h1-8,11-13H,9-10H2,(H2,24,28)
InChIKeyKECIQVJHCJXKPH-UHFFFAOYSA-N
XLogP3.13
TPSA96.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.41
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 659279
1-[2-(2,3-dihydro-1-benzofuran-5-yl)quinolin-6-yl]benzimidazole-5-carboxylic acid
CID 142681193
1-(4-bromophenyl)benzimidazole-5-carboxylate
CID 4525786
2,3-dihydro-1,4-benzodioxin-6-yl-(3-pyrrolidin-1-ylphenyl)methanone
CID 168515445
[24-(2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(26),9(14),10,12,22,24-hexaene-11-carbonyl)-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(22),9(14),10,12,23,25-hexaen-11-yl]-(2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(26),9(14),10,12,22,24-hexaen-11-yl)methanone
CID 3265829
4-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(2-hydroxyethyl)-1,2,4-triazol-3-yl]benzamide
CID 72882531
methyl 3-amino-4-cyano-1-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)phenyl]pyrrole-2-carboxylate
CID 168547814
1-[4-(4-aminobenzoyl)phenyl]indole-5-carboxamide
CID 174703366
[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] 2-(benzimidazol-1-yl)acetate
CID 3621863
2-[4-(1,3-benzodioxole-5-carbonyl)phenyl]-3H-benzimidazole-5-carboxamide
CID 11315141
3-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]benzamide
CID 175580971
ethyl 1-phenylbenzimidazole-5-carboxylate
CID 175878732

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)phenyl]benzimidazole-5-carboxamide?
The IUPAC name of 1-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)phenyl]benzimidazole-5-carboxamide (CID 150792304) is 1-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)phenyl]benzimidazole-5-carboxamide.
What is the SMILES notation for 1-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)phenyl]benzimidazole-5-carboxamide?
The canonical SMILES for 1-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)phenyl]benzimidazole-5-carboxamide is NC(=O)c1ccc2c(c1)ncn2-c1ccc(C(=O)c2ccc3c(c2)OCCO3)cc1.
What is the InChIKey of 1-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)phenyl]benzimidazole-5-carboxamide?
The InChIKey is KECIQVJHCJXKPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N3O4/c24-23(28)16-3-7-19-18(11-16)25-13-26(19)17-5-1-14(2-6-17)22(27)15-4-8-20-21(12-15)30-10-9-29-20/h1-8,11-13H,9-10H2,(H2,24,28).
What are the key properties of 1-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)phenyl]benzimidazole-5-carboxamide?
1-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)phenyl]benzimidazole-5-carboxamide has a molecular weight of 399.41 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)phenyl]benzimidazole-5-carboxamide is sourced from PubChem (CID 150792304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).