2-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)carbamoyl]cyclobutane-1-carboxylic acid

C15H17N3O4 — CID 120975675

IUPAC2-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)carbamoyl]cyclobutane-1-carboxylic acid
SMILESCn1c(=O)n(C)c2cc(NC(=O)C3CCC3C(=O)O)ccc21
InChIInChI=1S/C15H17N3O4/c1-17-11-6-3-8(7-12(11)18(2)15(17)22)16-13(19)9-4-5-10(9)14(20)21/h3,6-7,9-10H,4-5H2,1-2H3,(H,16,19)(H,20,21)
InChIKeyGQCPJHXMVAAVJO-UHFFFAOYSA-N
MW303.32 g/mol
LogP0.93
Rot. Bonds3

About 2-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)carbamoyl]cyclobutane-1-carboxylic acid

2-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)carbamoyl]cyclobutane-1-carboxylic acid (PubChem CID 120975675) has the molecular formula C15H17N3O4 and a molecular weight of 303.32 g/mol. Its IUPAC name is 2-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)carbamoyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)carbamoyl]cyclobutane-1-carboxylic acid
PubChem CID120975675
Molecular FormulaC15H17N3O4
Molecular Weight303.32 g/mol
Exact Mass303.12
IUPAC Name2-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)carbamoyl]cyclobutane-1-carboxylic acid
SMILESCn1c(=O)n(C)c2cc(NC(=O)C3CCC3C(=O)O)ccc21
InChIInChI=1S/C15H17N3O4/c1-17-11-6-3-8(7-12(11)18(2)15(17)22)16-13(19)9-4-5-10(9)14(20)21/h3,6-7,9-10H,4-5H2,1-2H3,(H,16,19)(H,20,21)
InChIKeyGQCPJHXMVAAVJO-UHFFFAOYSA-N
XLogP0.93
TPSA93.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)-4-methylcyclohexane-1-carboxamide
CID 20944530
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CID 49169137
(2R)-2-amino-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)propanamide;hydrochloride
CID 119309194
2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide
CID 98729953
2-[(3-chloro-4-methylsulfanylphenyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 120976871
2-[(1-methylbenzimidazol-5-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 115165335
2-(2H-benzotriazol-5-ylcarbamoyl)cyclobutane-1-carboxylic acid
CID 120974751
2-[[4-bromo-3-(trifluoromethyl)phenyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120974356
2-[[3-(methanesulfonamido)-4-methylphenyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120974815
2-[(4-methylphenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 113360982
2-[(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 120974405
trans-(1R,2R)-2-[(3,4-dichlorophenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 763889

Frequently Asked Questions

What is the IUPAC name of 2-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)carbamoyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 2-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)carbamoyl]cyclobutane-1-carboxylic acid (CID 120975675) is 2-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)carbamoyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 2-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)carbamoyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 2-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)carbamoyl]cyclobutane-1-carboxylic acid is Cn1c(=O)n(C)c2cc(NC(=O)C3CCC3C(=O)O)ccc21.
What is the InChIKey of 2-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)carbamoyl]cyclobutane-1-carboxylic acid?
The InChIKey is GQCPJHXMVAAVJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4/c1-17-11-6-3-8(7-12(11)18(2)15(17)22)16-13(19)9-4-5-10(9)14(20)21/h3,6-7,9-10H,4-5H2,1-2H3,(H,16,19)(H,20,21).
What are the key properties of 2-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)carbamoyl]cyclobutane-1-carboxylic acid?
2-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)carbamoyl]cyclobutane-1-carboxylic acid has a molecular weight of 303.32 g/mol, XLogP of 0.93, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)carbamoyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 120975675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).