2-[2-(3-chlorophenyl)benzimidazol-1-yl]-1-morpholin-4-ylethanone

C19H18ClN3O2 — CID 17002090

IUPAC2-[2-(3-chlorophenyl)benzimidazol-1-yl]-1-morpholin-4-ylethanone
SMILESO=C(Cn1c(-c2cccc(Cl)c2)nc2ccccc21)N1CCOCC1
InChIInChI=1S/C19H18ClN3O2/c20-15-5-3-4-14(12-15)19-21-16-6-1-2-7-17(16)23(19)13-18(24)22-8-10-25-11-9-22/h1-7,12H,8-11,13H2
InChIKeyNHUDLZNJXFFDFS-UHFFFAOYSA-N
MW355.82 g/mol
LogP3.22
Rot. Bonds3

About 2-[2-(3-chlorophenyl)benzimidazol-1-yl]-1-morpholin-4-ylethanone

2-[2-(3-chlorophenyl)benzimidazol-1-yl]-1-morpholin-4-ylethanone (PubChem CID 17002090) has the molecular formula C19H18ClN3O2 and a molecular weight of 355.82 g/mol. Its IUPAC name is 2-[2-(3-chlorophenyl)benzimidazol-1-yl]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[2-(3-chlorophenyl)benzimidazol-1-yl]-1-morpholin-4-ylethanone
PubChem CID17002090
Molecular FormulaC19H18ClN3O2
Molecular Weight355.82 g/mol
Exact Mass355.11
IUPAC Name2-[2-(3-chlorophenyl)benzimidazol-1-yl]-1-morpholin-4-ylethanone
SMILESO=C(Cn1c(-c2cccc(Cl)c2)nc2ccccc21)N1CCOCC1
InChIInChI=1S/C19H18ClN3O2/c20-15-5-3-4-14(12-15)19-21-16-6-1-2-7-17(16)23(19)13-18(24)22-8-10-25-11-9-22/h1-7,12H,8-11,13H2
InChIKeyNHUDLZNJXFFDFS-UHFFFAOYSA-N
XLogP3.22
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.82
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-morpholin-4-yl-2-(2-phenylbenzimidazol-1-yl)ethanone
CID 17000579
1-(azepan-1-yl)-3-[2-(3-chlorophenyl)benzimidazol-1-yl]propan-1-one
CID 17002094
2-[2-(3-chlorophenyl)benzimidazol-1-yl]ethanethioamide
CID 39151422
2-[2-[(E)-2-(4-chlorophenyl)ethenyl]benzimidazol-1-yl]-1-morpholin-4-ylethanone
CID 16999857
2-(2-methylsulfanylbenzimidazol-1-yl)-1-morpholin-4-ylethanone
CID 601048
1-morpholin-4-yl-2-(2-propan-2-ylbenzimidazol-1-yl)ethanone
CID 16996586
3-[2-(3-chlorophenyl)benzimidazol-1-yl]propan-1-ol
CID 82149518
1-(4-methylpiperidin-1-yl)-2-(2-phenylbenzimidazol-1-yl)ethanone
CID 17000581
1-morpholin-4-yl-2-(2-propylbenzimidazol-1-yl)ethanone
CID 115569311
[2-(3-chlorophenyl)quinolin-4-yl]-morpholin-4-ylmethanone
CID 1261463
1-morpholin-4-yl-2-[2-(naphthalen-1-yloxymethyl)benzimidazol-1-yl]ethanone
CID 16999437
N-benzyl-2-[2-(3-chlorophenyl)benzimidazol-1-yl]-N-cyclohexylacetamide
CID 17002085

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-chlorophenyl)benzimidazol-1-yl]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[2-(3-chlorophenyl)benzimidazol-1-yl]-1-morpholin-4-ylethanone (CID 17002090) is 2-[2-(3-chlorophenyl)benzimidazol-1-yl]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[2-(3-chlorophenyl)benzimidazol-1-yl]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[2-(3-chlorophenyl)benzimidazol-1-yl]-1-morpholin-4-ylethanone is O=C(Cn1c(-c2cccc(Cl)c2)nc2ccccc21)N1CCOCC1.
What is the InChIKey of 2-[2-(3-chlorophenyl)benzimidazol-1-yl]-1-morpholin-4-ylethanone?
The InChIKey is NHUDLZNJXFFDFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O2/c20-15-5-3-4-14(12-15)19-21-16-6-1-2-7-17(16)23(19)13-18(24)22-8-10-25-11-9-22/h1-7,12H,8-11,13H2.
What are the key properties of 2-[2-(3-chlorophenyl)benzimidazol-1-yl]-1-morpholin-4-ylethanone?
2-[2-(3-chlorophenyl)benzimidazol-1-yl]-1-morpholin-4-ylethanone has a molecular weight of 355.82 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-chlorophenyl)benzimidazol-1-yl]-1-morpholin-4-ylethanone is sourced from PubChem (CID 17002090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).