1-(3-amino-5-chlorophenyl)-2-(1-methylbenzimidazol-2-yl)ethanone

C16H14ClN3O — CID 116597370

IUPAC1-(3-amino-5-chlorophenyl)-2-(1-methylbenzimidazol-2-yl)ethanone
SMILESCn1c(CC(=O)c2cc(N)cc(Cl)c2)nc2ccccc21
InChIInChI=1S/C16H14ClN3O/c1-20-14-5-3-2-4-13(14)19-16(20)9-15(21)10-6-11(17)8-12(18)7-10/h2-8H,9,18H2,1H3
InChIKeyTVECWEDJWABVSR-UHFFFAOYSA-N
MW299.76 g/mol
LogP3.23
Rot. Bonds3

About 1-(3-amino-5-chlorophenyl)-2-(1-methylbenzimidazol-2-yl)ethanone

1-(3-amino-5-chlorophenyl)-2-(1-methylbenzimidazol-2-yl)ethanone (PubChem CID 116597370) has the molecular formula C16H14ClN3O and a molecular weight of 299.76 g/mol. Its IUPAC name is 1-(3-amino-5-chlorophenyl)-2-(1-methylbenzimidazol-2-yl)ethanone.

Molecular Properties

Compound Name1-(3-amino-5-chlorophenyl)-2-(1-methylbenzimidazol-2-yl)ethanone
PubChem CID116597370
Molecular FormulaC16H14ClN3O
Molecular Weight299.76 g/mol
Exact Mass299.08
IUPAC Name1-(3-amino-5-chlorophenyl)-2-(1-methylbenzimidazol-2-yl)ethanone
SMILESCn1c(CC(=O)c2cc(N)cc(Cl)c2)nc2ccccc21
InChIInChI=1S/C16H14ClN3O/c1-20-14-5-3-2-4-13(14)19-16(20)9-15(21)10-6-11(17)8-12(18)7-10/h2-8H,9,18H2,1H3
InChIKeyTVECWEDJWABVSR-UHFFFAOYSA-N
XLogP3.23
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(3-aminophenyl)-2-(1-methylbenzimidazol-2-yl)ethanone
CID 116548567
1-(3,5-dichloro-2-pyridinyl)-2-(1-methylbenzimidazol-2-yl)ethanone
CID 79783281
1-(3-amino-5-chlorophenyl)-2-(1-methylindazol-3-yl)ethanone
CID 116597401
2-(1-methylbenzimidazol-2-yl)-1-(4-methylsulfanylphenyl)ethanone
CID 115782583
1-(3-chlorophenyl)-2-(1-ethylbenzimidazol-2-yl)ethanone
CID 79755506
4-chloro-N'-[2-(1-methylbenzimidazol-2-yl)acetyl]benzohydrazide
CID 3603733
2-(1-methylbenzimidazol-2-yl)-1-(6-methyl-2-pyridinyl)ethanone
CID 79754091
1-(3-amino-5-chlorophenyl)-2-pyridin-2-ylethanone
CID 116597491
2-(1-methylbenzimidazol-2-yl)-1-(3-methylimidazol-4-yl)ethanone
CID 82896028
5-chloro-3-[(1-methylbenzimidazol-2-yl)methyl]pyridin-2-amine
CID 79750643
1-(2-methoxyphenyl)-2-(1-methylbenzimidazol-2-yl)ethanone
CID 79755499
1-(3-amino-5-chlorophenyl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanone
CID 116597516

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-5-chlorophenyl)-2-(1-methylbenzimidazol-2-yl)ethanone?
The IUPAC name of 1-(3-amino-5-chlorophenyl)-2-(1-methylbenzimidazol-2-yl)ethanone (CID 116597370) is 1-(3-amino-5-chlorophenyl)-2-(1-methylbenzimidazol-2-yl)ethanone.
What is the SMILES notation for 1-(3-amino-5-chlorophenyl)-2-(1-methylbenzimidazol-2-yl)ethanone?
The canonical SMILES for 1-(3-amino-5-chlorophenyl)-2-(1-methylbenzimidazol-2-yl)ethanone is Cn1c(CC(=O)c2cc(N)cc(Cl)c2)nc2ccccc21.
What is the InChIKey of 1-(3-amino-5-chlorophenyl)-2-(1-methylbenzimidazol-2-yl)ethanone?
The InChIKey is TVECWEDJWABVSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O/c1-20-14-5-3-2-4-13(14)19-16(20)9-15(21)10-6-11(17)8-12(18)7-10/h2-8H,9,18H2,1H3.
What are the key properties of 1-(3-amino-5-chlorophenyl)-2-(1-methylbenzimidazol-2-yl)ethanone?
1-(3-amino-5-chlorophenyl)-2-(1-methylbenzimidazol-2-yl)ethanone has a molecular weight of 299.76 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-5-chlorophenyl)-2-(1-methylbenzimidazol-2-yl)ethanone is sourced from PubChem (CID 116597370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).