2-(9-ethylcarbazol-3-yl)-6-methoxy-1-(2-methoxyethyl)benzimidazole-5-carboxylic acid

C26H25N3O4 — CID 90202486

IUPAC2-(9-ethylcarbazol-3-yl)-6-methoxy-1-(2-methoxyethyl)benzimidazole-5-carboxylic acid
SMILESCCn1c2ccccc2c2cc(-c3nc4cc(C(=O)O)c(OC)cc4n3CCOC)ccc21
InChIInChI=1S/C26H25N3O4/c1-4-28-21-8-6-5-7-17(21)18-13-16(9-10-22(18)28)25-27-20-14-19(26(30)31)24(33-3)15-23(20)29(25)11-12-32-2/h5-10,13-15H,4,11-12H2,1-3H3,(H,30,31)
InChIKeyGIVBBEZUIKZZLH-UHFFFAOYSA-N
MW443.50 g/mol
LogP5.18
Rot. Bonds7

About 2-(9-ethylcarbazol-3-yl)-6-methoxy-1-(2-methoxyethyl)benzimidazole-5-carboxylic acid

2-(9-ethylcarbazol-3-yl)-6-methoxy-1-(2-methoxyethyl)benzimidazole-5-carboxylic acid (PubChem CID 90202486) has the molecular formula C26H25N3O4 and a molecular weight of 443.50 g/mol. Its IUPAC name is 2-(9-ethylcarbazol-3-yl)-6-methoxy-1-(2-methoxyethyl)benzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(9-ethylcarbazol-3-yl)-6-methoxy-1-(2-methoxyethyl)benzimidazole-5-carboxylic acid
PubChem CID90202486
Molecular FormulaC26H25N3O4
Molecular Weight443.50 g/mol
Exact Mass443.18
IUPAC Name2-(9-ethylcarbazol-3-yl)-6-methoxy-1-(2-methoxyethyl)benzimidazole-5-carboxylic acid
SMILESCCn1c2ccccc2c2cc(-c3nc4cc(C(=O)O)c(OC)cc4n3CCOC)ccc21
InChIInChI=1S/C26H25N3O4/c1-4-28-21-8-6-5-7-17(21)18-13-16(9-10-22(18)28)25-27-20-14-19(26(30)31)24(33-3)15-23(20)29(25)11-12-32-2/h5-10,13-15H,4,11-12H2,1-3H3,(H,30,31)
InChIKeyGIVBBEZUIKZZLH-UHFFFAOYSA-N
XLogP5.18
TPSA78.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.50
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(9-ethylcarbazol-3-yl)-6-methoxy-1-(2-methoxyethyl)benzimidazole-5-carboxylic acid with MolForge

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Related Compounds

5-Substituted 1-Phenylbenzimidazole 42
CID 5328532
2-(9-Ethyl-6-methylcarbazol-3-yl)-1-(2-methoxyethyl)-4-methylbenzimidazole-5-carboxylic acid
CID 90202558
KSP Inhibitor, 4g
CID 25164869
1-(3-methoxyphenyl)-2-methyl-1H-benzimidazole-5-carboxylic acid
CID 4516609
(4S,5R,6Z,9S,10S,12E)-9,10,21-trihydroxy-4,5,17,18-tetramethyl-3-oxa-16,18-diazatricyclo[12.7.0.015,19]henicosa-1(21),6,12,14,16,19-hexaene-2,8-dione
CID 46887341
3-{[6-(4-Amino-3,5-dimethylphenoxy)-1-methyl-1H-benzimidazol-2-yl]methoxy}benzoic acid dihydrochloride
CID 68662132
3-[[1-Methyl-6-(2-methylphenoxy)benzimidazol-2-yl]methoxy]benzoic acid
CID 68662186
2-(9-Ethyl-9H-carbazol-3-yl)-1-(2-methoxyethyl)-1H-benzimidazole-5-carboxylic acid
CID 74762651
1-[2-(Dimethylamino)ethyl]-2-(9-ethyl-9H-carbazol-3-yl)-1H-benzimidazole-5-carboxylic acid
CID 76281184
1-(Cyclopropylmethyl)-2-[9-(2-methoxyethyl)carbazol-3-yl]benzimidazole-5-carboxylic acid
CID 76281455
2-(9-Ethyl-9H-carbazol-3-yl)-1-isopropyl-1H-benzimidazole-5-carboxylic acid
CID 76283950
2-(9-Ethyl-9H-carbazol-3-y1)-1-methyl-1 H-benzimidazole-5-carboxylic acid
CID 76283951

Frequently Asked Questions

What is the IUPAC name of 2-(9-ethylcarbazol-3-yl)-6-methoxy-1-(2-methoxyethyl)benzimidazole-5-carboxylic acid?
The IUPAC name of 2-(9-ethylcarbazol-3-yl)-6-methoxy-1-(2-methoxyethyl)benzimidazole-5-carboxylic acid (CID 90202486) is 2-(9-ethylcarbazol-3-yl)-6-methoxy-1-(2-methoxyethyl)benzimidazole-5-carboxylic acid.
What is the SMILES notation for 2-(9-ethylcarbazol-3-yl)-6-methoxy-1-(2-methoxyethyl)benzimidazole-5-carboxylic acid?
The canonical SMILES for 2-(9-ethylcarbazol-3-yl)-6-methoxy-1-(2-methoxyethyl)benzimidazole-5-carboxylic acid is CCn1c2ccccc2c2cc(-c3nc4cc(C(=O)O)c(OC)cc4n3CCOC)ccc21.
What is the InChIKey of 2-(9-ethylcarbazol-3-yl)-6-methoxy-1-(2-methoxyethyl)benzimidazole-5-carboxylic acid?
The InChIKey is GIVBBEZUIKZZLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O4/c1-4-28-21-8-6-5-7-17(21)18-13-16(9-10-22(18)28)25-27-20-14-19(26(30)31)24(33-3)15-23(20)29(25)11-12-32-2/h5-10,13-15H,4,11-12H2,1-3H3,(H,30,31).
What are the key properties of 2-(9-ethylcarbazol-3-yl)-6-methoxy-1-(2-methoxyethyl)benzimidazole-5-carboxylic acid?
2-(9-ethylcarbazol-3-yl)-6-methoxy-1-(2-methoxyethyl)benzimidazole-5-carboxylic acid has a molecular weight of 443.50 g/mol, XLogP of 5.18, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9-ethylcarbazol-3-yl)-6-methoxy-1-(2-methoxyethyl)benzimidazole-5-carboxylic acid is sourced from PubChem (CID 90202486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).