4-(1H-benzimidazol-2-yl)-2-(2-chlorophenyl)morpholine

C17H16ClN3O — CID 133410094

IUPAC4-(1H-benzimidazol-2-yl)-2-(2-chlorophenyl)morpholine
SMILESClc1ccccc1C1CN(c2nc3ccccc3[nH]2)CCO1
InChIInChI=1S/C17H16ClN3O/c18-13-6-2-1-5-12(13)16-11-21(9-10-22-16)17-19-14-7-3-4-8-15(14)20-17/h1-8,16H,9-11H2,(H,19,20)
InChIKeyLSLULQVBNQDBNX-UHFFFAOYSA-N
MW313.79 g/mol
LogP3.79
Rot. Bonds2

About 4-(1H-benzimidazol-2-yl)-2-(2-chlorophenyl)morpholine

4-(1H-benzimidazol-2-yl)-2-(2-chlorophenyl)morpholine (PubChem CID 133410094) has the molecular formula C17H16ClN3O and a molecular weight of 313.79 g/mol. Its IUPAC name is 4-(1H-benzimidazol-2-yl)-2-(2-chlorophenyl)morpholine.

Molecular Properties

Compound Name4-(1H-benzimidazol-2-yl)-2-(2-chlorophenyl)morpholine
PubChem CID133410094
Molecular FormulaC17H16ClN3O
Molecular Weight313.79 g/mol
Exact Mass313.10
IUPAC Name4-(1H-benzimidazol-2-yl)-2-(2-chlorophenyl)morpholine
SMILESClc1ccccc1C1CN(c2nc3ccccc3[nH]2)CCO1
InChIInChI=1S/C17H16ClN3O/c18-13-6-2-1-5-12(13)16-11-21(9-10-22-16)17-19-14-7-3-4-8-15(14)20-17/h1-8,16H,9-11H2,(H,19,20)
InChIKeyLSLULQVBNQDBNX-UHFFFAOYSA-N
XLogP3.79
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.79
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1H-benzimidazol-2-yl)-2-(2,4-difluorophenyl)morpholine
CID 139009416
2-(3-phenylpyrrolidin-1-yl)-1H-benzimidazole
CID 133409902
1-(1H-benzimidazol-2-yl)pyrrolidine-3-carboxylic acid
CID 120963990
(2S)-4-(6-ethylsulfonyl-1H-benzimidazol-2-yl)-2-phenylmorpholine
CID 71608558
(2R)-4-(6-ethylsulfonyl-1H-benzimidazol-2-yl)-2-phenylmorpholine
CID 66575667
2-(2-chlorophenyl)-4-(2-pyridin-3-ylquinazolin-4-yl)morpholine
CID 133289876
2-(2-chlorophenyl)-4-(7-chloroquinazolin-4-yl)morpholine
CID 86889499
6-(1H-benzimidazol-2-yl)-4-benzyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine
CID 133410937
2-[(3S)-3-methylpiperidin-1-yl]-1H-benzimidazole
CID 94217972
(2-chlorophenyl)-[2-(2-chlorophenyl)morpholin-4-yl]methanone
CID 110326868
1-[1-(1H-benzimidazol-2-yl)pyrrolidin-3-yl]ethanol
CID 112627764
2-(2-chlorophenyl)-4-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)morpholine
CID 133294593

Frequently Asked Questions

What is the IUPAC name of 4-(1H-benzimidazol-2-yl)-2-(2-chlorophenyl)morpholine?
The IUPAC name of 4-(1H-benzimidazol-2-yl)-2-(2-chlorophenyl)morpholine (CID 133410094) is 4-(1H-benzimidazol-2-yl)-2-(2-chlorophenyl)morpholine.
What is the SMILES notation for 4-(1H-benzimidazol-2-yl)-2-(2-chlorophenyl)morpholine?
The canonical SMILES for 4-(1H-benzimidazol-2-yl)-2-(2-chlorophenyl)morpholine is Clc1ccccc1C1CN(c2nc3ccccc3[nH]2)CCO1.
What is the InChIKey of 4-(1H-benzimidazol-2-yl)-2-(2-chlorophenyl)morpholine?
The InChIKey is LSLULQVBNQDBNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O/c18-13-6-2-1-5-12(13)16-11-21(9-10-22-16)17-19-14-7-3-4-8-15(14)20-17/h1-8,16H,9-11H2,(H,19,20).
What are the key properties of 4-(1H-benzimidazol-2-yl)-2-(2-chlorophenyl)morpholine?
4-(1H-benzimidazol-2-yl)-2-(2-chlorophenyl)morpholine has a molecular weight of 313.79 g/mol, XLogP of 3.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-benzimidazol-2-yl)-2-(2-chlorophenyl)morpholine is sourced from PubChem (CID 133410094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).