2-[(9R)-9-carbamoyl-9H-fluoren-4-yl]-3H-benzimidazole-5-carboxylic acid

C22H15N3O3 — CID 67359577

IUPAC2-[(9R)-9-carbamoyl-9H-fluoren-4-yl]-3H-benzimidazole-5-carboxylic acid
SMILESNC(=O)[C@@H]1c2ccccc2-c2c(-c3nc4ccc(C(=O)O)cc4[nH]3)cccc21
InChIInChI=1S/C22H15N3O3/c23-20(26)19-13-5-2-1-4-12(13)18-14(19)6-3-7-15(18)21-24-16-9-8-11(22(27)28)10-17(16)25-21/h1-10,19H,(H2,23,26)(H,24,25)(H,27,28)/t19-/m1/s1
InChIKeyGPCDUVZCZQEJMN-LJQANCHMSA-N
MW369.38 g/mol
LogP3.53
Rot. Bonds3

About 2-[(9R)-9-carbamoyl-9H-fluoren-4-yl]-3H-benzimidazole-5-carboxylic acid

2-[(9R)-9-carbamoyl-9H-fluoren-4-yl]-3H-benzimidazole-5-carboxylic acid (PubChem CID 67359577) has the molecular formula C22H15N3O3 and a molecular weight of 369.38 g/mol. Its IUPAC name is 2-[(9R)-9-carbamoyl-9H-fluoren-4-yl]-3H-benzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[(9R)-9-carbamoyl-9H-fluoren-4-yl]-3H-benzimidazole-5-carboxylic acid
PubChem CID67359577
Molecular FormulaC22H15N3O3
Molecular Weight369.38 g/mol
Exact Mass369.11
IUPAC Name2-[(9R)-9-carbamoyl-9H-fluoren-4-yl]-3H-benzimidazole-5-carboxylic acid
SMILESNC(=O)[C@@H]1c2ccccc2-c2c(-c3nc4ccc(C(=O)O)cc4[nH]3)cccc21
InChIInChI=1S/C22H15N3O3/c23-20(26)19-13-5-2-1-4-12(13)18-14(19)6-3-7-15(18)21-24-16-9-8-11(22(27)28)10-17(16)25-21/h1-10,19H,(H2,23,26)(H,24,25)(H,27,28)/t19-/m1/s1
InChIKeyGPCDUVZCZQEJMN-LJQANCHMSA-N
XLogP3.53
TPSA109.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 53.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[(9R)-9-carbamoyl-9H-fluoren-4-yl]-3H-benzimidazole-5-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(9R)-4-(7H-purin-8-yl)-9H-fluorene-9-carboxamide
CID 67360207
2-(2,3-dichlorophenyl)-3H-benzimidazole-5-carboxylic acid
CID 43349288
2-(2-methylsulfanylphenyl)-3H-benzimidazole-5-carboxylic acid
CID 79217746
2-[2-(1H-imidazol-2-yl)phenyl]-3H-benzimidazole-5-carboxylic acid
CID 11738240
2-(4-aminophenyl)-3H-benzimidazole-5-carboxylic acid
CID 774873
2-[3-(6-carboxy-1H-benzimidazol-2-yl)phenyl]-3H-benzimidazole-5-carboxylic acid;hydrochloride
CID 2728750
2-(9-amino-9H-fluoren-4-yl)-3H-imidazo[4,5-c]pyridine-6-carboxylic acid
CID 68686481
4-(5-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl)-9H-fluorene-9-carboxamide
CID 67361723
2-(1H-benzimidazol-2-yl)terephthalic acid
CID 6395633
2-(3-carboxy-2,5-dihydroxyphenyl)-3H-benzimidazole-5-carboxylic acid
CID 156760820
2-(2,3-dimethoxyphenyl)-3H-benzimidazole-5-carboxylic acid
CID 26370419
2-(2,6-dinitrophenyl)-3H-benzimidazole-5-carboxylic acid
CID 87487997

Frequently Asked Questions

What is the IUPAC name of 2-[(9R)-9-carbamoyl-9H-fluoren-4-yl]-3H-benzimidazole-5-carboxylic acid?
The IUPAC name of 2-[(9R)-9-carbamoyl-9H-fluoren-4-yl]-3H-benzimidazole-5-carboxylic acid (CID 67359577) is 2-[(9R)-9-carbamoyl-9H-fluoren-4-yl]-3H-benzimidazole-5-carboxylic acid.
What is the SMILES notation for 2-[(9R)-9-carbamoyl-9H-fluoren-4-yl]-3H-benzimidazole-5-carboxylic acid?
The canonical SMILES for 2-[(9R)-9-carbamoyl-9H-fluoren-4-yl]-3H-benzimidazole-5-carboxylic acid is NC(=O)[C@@H]1c2ccccc2-c2c(-c3nc4ccc(C(=O)O)cc4[nH]3)cccc21.
What is the InChIKey of 2-[(9R)-9-carbamoyl-9H-fluoren-4-yl]-3H-benzimidazole-5-carboxylic acid?
The InChIKey is GPCDUVZCZQEJMN-LJQANCHMSA-N. The full InChI is InChI=1S/C22H15N3O3/c23-20(26)19-13-5-2-1-4-12(13)18-14(19)6-3-7-15(18)21-24-16-9-8-11(22(27)28)10-17(16)25-21/h1-10,19H,(H2,23,26)(H,24,25)(H,27,28)/t19-/m1/s1.
What are the key properties of 2-[(9R)-9-carbamoyl-9H-fluoren-4-yl]-3H-benzimidazole-5-carboxylic acid?
2-[(9R)-9-carbamoyl-9H-fluoren-4-yl]-3H-benzimidazole-5-carboxylic acid has a molecular weight of 369.38 g/mol, XLogP of 3.53, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(9R)-9-carbamoyl-9H-fluoren-4-yl]-3H-benzimidazole-5-carboxylic acid is sourced from PubChem (CID 67359577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).