1-(cyclopropylmethyl)-2-(9-propylcarbazol-3-yl)benzimidazole-5-carboxylic acid

C27H25N3O2 — CID 90202705

IUPAC1-(cyclopropylmethyl)-2-(9-propylcarbazol-3-yl)benzimidazole-5-carboxylic acid
SMILESCCCn1c2ccccc2c2cc(-c3nc4cc(C(=O)O)ccc4n3CC3CC3)ccc21
InChIInChI=1S/C27H25N3O2/c1-2-13-29-23-6-4-3-5-20(23)21-14-18(9-11-24(21)29)26-28-22-15-19(27(31)32)10-12-25(22)30(26)16-17-7-8-17/h3-6,9-12,14-15,17H,2,7-8,13,16H2,1H3,(H,31,32)
InChIKeyCQLAEMXFJFUNRC-UHFFFAOYSA-N
MW423.52 g/mol
LogP6.33
Rot. Bonds6

About 1-(cyclopropylmethyl)-2-(9-propylcarbazol-3-yl)benzimidazole-5-carboxylic acid

1-(cyclopropylmethyl)-2-(9-propylcarbazol-3-yl)benzimidazole-5-carboxylic acid (PubChem CID 90202705) has the molecular formula C27H25N3O2 and a molecular weight of 423.52 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-2-(9-propylcarbazol-3-yl)benzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-2-(9-propylcarbazol-3-yl)benzimidazole-5-carboxylic acid
PubChem CID90202705
Molecular FormulaC27H25N3O2
Molecular Weight423.52 g/mol
Exact Mass423.19
IUPAC Name1-(cyclopropylmethyl)-2-(9-propylcarbazol-3-yl)benzimidazole-5-carboxylic acid
SMILESCCCn1c2ccccc2c2cc(-c3nc4cc(C(=O)O)ccc4n3CC3CC3)ccc21
InChIInChI=1S/C27H25N3O2/c1-2-13-29-23-6-4-3-5-20(23)21-14-18(9-11-24(21)29)26-28-22-15-19(27(31)32)10-12-25(22)30(26)16-17-7-8-17/h3-6,9-12,14-15,17H,2,7-8,13,16H2,1H3,(H,31,32)
InChIKeyCQLAEMXFJFUNRC-UHFFFAOYSA-N
XLogP6.33
TPSA60.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.52
LogP ≤ 56.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-2-(9-propylcarbazol-3-yl)benzimidazole-5-carboxylic acid?
The IUPAC name of 1-(cyclopropylmethyl)-2-(9-propylcarbazol-3-yl)benzimidazole-5-carboxylic acid (CID 90202705) is 1-(cyclopropylmethyl)-2-(9-propylcarbazol-3-yl)benzimidazole-5-carboxylic acid.
What is the SMILES notation for 1-(cyclopropylmethyl)-2-(9-propylcarbazol-3-yl)benzimidazole-5-carboxylic acid?
The canonical SMILES for 1-(cyclopropylmethyl)-2-(9-propylcarbazol-3-yl)benzimidazole-5-carboxylic acid is CCCn1c2ccccc2c2cc(-c3nc4cc(C(=O)O)ccc4n3CC3CC3)ccc21.
What is the InChIKey of 1-(cyclopropylmethyl)-2-(9-propylcarbazol-3-yl)benzimidazole-5-carboxylic acid?
The InChIKey is CQLAEMXFJFUNRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O2/c1-2-13-29-23-6-4-3-5-20(23)21-14-18(9-11-24(21)29)26-28-22-15-19(27(31)32)10-12-25(22)30(26)16-17-7-8-17/h3-6,9-12,14-15,17H,2,7-8,13,16H2,1H3,(H,31,32).
What are the key properties of 1-(cyclopropylmethyl)-2-(9-propylcarbazol-3-yl)benzimidazole-5-carboxylic acid?
1-(cyclopropylmethyl)-2-(9-propylcarbazol-3-yl)benzimidazole-5-carboxylic acid has a molecular weight of 423.52 g/mol, XLogP of 6.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-2-(9-propylcarbazol-3-yl)benzimidazole-5-carboxylic acid is sourced from PubChem (CID 90202705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).