2-[[4-(1H-benzimidazol-2-yl)phenyl]methylcarbamoyl]cyclobutane-1-carboxylic acid

C20H19N3O3 — CID 120975904

IUPAC2-[[4-(1H-benzimidazol-2-yl)phenyl]methylcarbamoyl]cyclobutane-1-carboxylic acid
SMILESO=C(O)C1CCC1C(=O)NCc1ccc(-c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C20H19N3O3/c24-19(14-9-10-15(14)20(25)26)21-11-12-5-7-13(8-6-12)18-22-16-3-1-2-4-17(16)23-18/h1-8,14-15H,9-11H2,(H,21,24)(H,22,23)(H,25,26)
InChIKeyRPZHENOWXYATLQ-UHFFFAOYSA-N
MW349.39 g/mol
LogP2.96
Rot. Bonds5

About 2-[[4-(1H-benzimidazol-2-yl)phenyl]methylcarbamoyl]cyclobutane-1-carboxylic acid

2-[[4-(1H-benzimidazol-2-yl)phenyl]methylcarbamoyl]cyclobutane-1-carboxylic acid (PubChem CID 120975904) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is 2-[[4-(1H-benzimidazol-2-yl)phenyl]methylcarbamoyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[4-(1H-benzimidazol-2-yl)phenyl]methylcarbamoyl]cyclobutane-1-carboxylic acid
PubChem CID120975904
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC Name2-[[4-(1H-benzimidazol-2-yl)phenyl]methylcarbamoyl]cyclobutane-1-carboxylic acid
SMILESO=C(O)C1CCC1C(=O)NCc1ccc(-c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C20H19N3O3/c24-19(14-9-10-15(14)20(25)26)21-11-12-5-7-13(8-6-12)18-22-16-3-1-2-4-17(16)23-18/h1-8,14-15H,9-11H2,(H,21,24)(H,22,23)(H,25,26)
InChIKeyRPZHENOWXYATLQ-UHFFFAOYSA-N
XLogP2.96
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,5R)-5-[[4-(1H-benzimidazol-2-yl)phenyl]methylcarbamoyl]oxolane-2-carboxylic acid
CID 167837210
3-amino-N-[[4-(1H-benzimidazol-2-yl)phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119771116
N-[[4-(1H-benzimidazol-2-yl)phenyl]methyl]-1-cyanocyclobutane-1-carboxamide
CID 71875149
trans-(1S,2S)-N-[4-(1H-benzimidazol-2-yl)phenyl]-2-methylcyclopropane-1-carboxamide
CID 40820911
N-[[4-[4-(1H-benzimidazol-2-yl)phenyl]phenyl]methyl]-1-phenylmethanamine;2,2,2-trifluoroacetic acid
CID 44524509
3-[4-(1H-benzimidazol-2-yl)phenyl]propanoic acid
CID 122561896
1-(1H-benzimidazol-2-yl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 4130439
cis-(1R,2S)-2-(benzylcarbamoyl)cyclopropane-1-carboxylic acid
CID 51776902
cis-(1R,2S)-2-[(4-fluorophenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 887867
4-(1H-benzimidazol-2-yl)-N-(2-phenylethyl)benzamide
CID 100577407
N-[4-(1H-benzimidazol-2-yl)phenyl]cyclohexanecarboxamide
CID 2465476
2-amino-N-[[4-(1H-benzimidazol-2-yl)phenyl]methyl]-4-methylsulfonylbutanamide;hydrochloride
CID 119957205

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(1H-benzimidazol-2-yl)phenyl]methylcarbamoyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 2-[[4-(1H-benzimidazol-2-yl)phenyl]methylcarbamoyl]cyclobutane-1-carboxylic acid (CID 120975904) is 2-[[4-(1H-benzimidazol-2-yl)phenyl]methylcarbamoyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 2-[[4-(1H-benzimidazol-2-yl)phenyl]methylcarbamoyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 2-[[4-(1H-benzimidazol-2-yl)phenyl]methylcarbamoyl]cyclobutane-1-carboxylic acid is O=C(O)C1CCC1C(=O)NCc1ccc(-c2nc3ccccc3[nH]2)cc1.
What is the InChIKey of 2-[[4-(1H-benzimidazol-2-yl)phenyl]methylcarbamoyl]cyclobutane-1-carboxylic acid?
The InChIKey is RPZHENOWXYATLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3/c24-19(14-9-10-15(14)20(25)26)21-11-12-5-7-13(8-6-12)18-22-16-3-1-2-4-17(16)23-18/h1-8,14-15H,9-11H2,(H,21,24)(H,22,23)(H,25,26).
What are the key properties of 2-[[4-(1H-benzimidazol-2-yl)phenyl]methylcarbamoyl]cyclobutane-1-carboxylic acid?
2-[[4-(1H-benzimidazol-2-yl)phenyl]methylcarbamoyl]cyclobutane-1-carboxylic acid has a molecular weight of 349.39 g/mol, XLogP of 2.96, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(1H-benzimidazol-2-yl)phenyl]methylcarbamoyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 120975904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).