5-(2-amino-3-chlorobenzoyl)-1,3-dihydrobenzimidazol-2-one

C14H10ClN3O2 — CID 115549761

IUPAC5-(2-amino-3-chlorobenzoyl)-1,3-dihydrobenzimidazol-2-one
SMILESNc1c(Cl)cccc1C(=O)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C14H10ClN3O2/c15-9-3-1-2-8(12(9)16)13(19)7-4-5-10-11(6-7)18-14(20)17-10/h1-6H,16H2,(H2,17,18,20)
InChIKeyYVGDUWJCJSPWLM-UHFFFAOYSA-N
MW287.71 g/mol
LogP2.32
Rot. Bonds2

About 5-(2-amino-3-chlorobenzoyl)-1,3-dihydrobenzimidazol-2-one

5-(2-amino-3-chlorobenzoyl)-1,3-dihydrobenzimidazol-2-one (PubChem CID 115549761) has the molecular formula C14H10ClN3O2 and a molecular weight of 287.71 g/mol. Its IUPAC name is 5-(2-amino-3-chlorobenzoyl)-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-(2-amino-3-chlorobenzoyl)-1,3-dihydrobenzimidazol-2-one
PubChem CID115549761
Molecular FormulaC14H10ClN3O2
Molecular Weight287.71 g/mol
Exact Mass287.05
IUPAC Name5-(2-amino-3-chlorobenzoyl)-1,3-dihydrobenzimidazol-2-one
SMILESNc1c(Cl)cccc1C(=O)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C14H10ClN3O2/c15-9-3-1-2-8(12(9)16)13(19)7-4-5-10-11(6-7)18-14(20)17-10/h1-6H,16H2,(H2,17,18,20)
InChIKeyYVGDUWJCJSPWLM-UHFFFAOYSA-N
XLogP2.32
TPSA91.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.71
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(2-amino-3-chlorophenyl)-(4-chlorophenyl)methanone
CID 15634745
5-(5-chloro-2-fluorobenzoyl)-1,3-dihydrobenzimidazol-2-one
CID 43338645
5-(2,3-difluorobenzoyl)-1,3-dihydrobenzimidazol-2-one
CID 62648992
5-(2-bromo-3-methylbenzoyl)-1,3-dihydrobenzimidazol-2-one
CID 107981626
5-benzoyl-1,3-dihydrobenzimidazol-2-one
CID 854379
5-[2-(2-chlorophenyl)acetyl]-1,3-dihydrobenzimidazol-2-one
CID 43338651
5-[4-(methylamino)benzoyl]-1,3-dihydrobenzimidazol-2-one
CID 116917457
5-(3,4-difluorobenzoyl)-1,3-dihydrobenzimidazol-2-one
CID 43338650
(2-amino-3-chlorophenyl)-[3-(3-methylsulfonylphenoxy)phenyl]methanone
CID 68670033
(2-amino-3-chlorophenyl)-(4,6-dichloro-1H-indol-3-yl)methanone
CID 103428602
N-[4-(2-amino-3-chlorobenzoyl)phenyl]-N-methylformamide
CID 115549784
5-(2-aminoacetyl)-1,3-dihydrobenzimidazol-2-one;hydrochloride
CID 18002813

Frequently Asked Questions

What is the IUPAC name of 5-(2-amino-3-chlorobenzoyl)-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-(2-amino-3-chlorobenzoyl)-1,3-dihydrobenzimidazol-2-one (CID 115549761) is 5-(2-amino-3-chlorobenzoyl)-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-(2-amino-3-chlorobenzoyl)-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-(2-amino-3-chlorobenzoyl)-1,3-dihydrobenzimidazol-2-one is Nc1c(Cl)cccc1C(=O)c1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of 5-(2-amino-3-chlorobenzoyl)-1,3-dihydrobenzimidazol-2-one?
The InChIKey is YVGDUWJCJSPWLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3O2/c15-9-3-1-2-8(12(9)16)13(19)7-4-5-10-11(6-7)18-14(20)17-10/h1-6H,16H2,(H2,17,18,20).
What are the key properties of 5-(2-amino-3-chlorobenzoyl)-1,3-dihydrobenzimidazol-2-one?
5-(2-amino-3-chlorobenzoyl)-1,3-dihydrobenzimidazol-2-one has a molecular weight of 287.71 g/mol, XLogP of 2.32, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-amino-3-chlorobenzoyl)-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 115549761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).