[(1S)-1-(2-chlorophenyl)ethyl] 2-(2-methylbenzimidazol-1-yl)acetate

C18H17ClN2O2 — CID 8849826

IUPAC[(1S)-1-(2-chlorophenyl)ethyl] 2-(2-methylbenzimidazol-1-yl)acetate
SMILESCc1nc2ccccc2n1CC(=O)O[C@@H](C)c1ccccc1Cl
InChIInChI=1S/C18H17ClN2O2/c1-12(14-7-3-4-8-15(14)19)23-18(22)11-21-13(2)20-16-9-5-6-10-17(16)21/h3-10,12H,11H2,1-2H3/t12-/m0/s1
InChIKeyXHEQYZKLMGSYGO-LBPRGKRZSA-N
MW328.80 g/mol
LogP4.30
Rot. Bonds4

About [(1S)-1-(2-chlorophenyl)ethyl] 2-(2-methylbenzimidazol-1-yl)acetate

[(1S)-1-(2-chlorophenyl)ethyl] 2-(2-methylbenzimidazol-1-yl)acetate (PubChem CID 8849826) has the molecular formula C18H17ClN2O2 and a molecular weight of 328.80 g/mol. Its IUPAC name is [(1S)-1-(2-chlorophenyl)ethyl] 2-(2-methylbenzimidazol-1-yl)acetate.

Molecular Properties

Compound Name[(1S)-1-(2-chlorophenyl)ethyl] 2-(2-methylbenzimidazol-1-yl)acetate
PubChem CID8849826
Molecular FormulaC18H17ClN2O2
Molecular Weight328.80 g/mol
Exact Mass328.10
IUPAC Name[(1S)-1-(2-chlorophenyl)ethyl] 2-(2-methylbenzimidazol-1-yl)acetate
SMILESCc1nc2ccccc2n1CC(=O)O[C@@H](C)c1ccccc1Cl
InChIInChI=1S/C18H17ClN2O2/c1-12(14-7-3-4-8-15(14)19)23-18(22)11-21-13(2)20-16-9-5-6-10-17(16)21/h3-10,12H,11H2,1-2H3/t12-/m0/s1
InChIKeyXHEQYZKLMGSYGO-LBPRGKRZSA-N
XLogP4.30
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-chlorophenyl)ethyl 2-(2-oxo-1,3-benzoxazol-3-yl)acetate
CID 18277911
1-(2-chlorophenyl)-2-(2-methylbenzimidazol-1-yl)ethanol
CID 47276894
2-(2-methylbenzimidazol-1-yl)acetic acid
CID 75530217
propan-2-yl 2-[2-(1-phenoxyethyl)benzimidazol-1-yl]acetate
CID 16998895
propan-2-yl 2-[2-(hydroxymethyl)benzimidazol-1-yl]acetate
CID 16995330
N-(2,6-dichloro-3-methylphenyl)-2-(2-methylbenzimidazol-1-yl)acetamide
CID 7755761
[(1R)-1-(2-chlorophenyl)ethyl] 2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetate
CID 7869554
2-(2-methylbenzimidazol-1-yl)-1-(4-methylphenyl)ethanone
CID 39917000
N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-2-(2-methylbenzimidazol-1-yl)acetamide
CID 9121440
N-[(1S)-1-[1-[(2S)-2-(2-chlorophenyl)-2-hydroxyethyl]benzimidazol-2-yl]ethyl]acetamide
CID 52515056
1-[(2-chlorophenyl)methyl]-2-methylbenzimidazole
CID 709571
propan-2-yl 2-[2-(2-aminoethyl)benzimidazol-1-yl]acetate
CID 63637880

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-(2-chlorophenyl)ethyl] 2-(2-methylbenzimidazol-1-yl)acetate?
The IUPAC name of [(1S)-1-(2-chlorophenyl)ethyl] 2-(2-methylbenzimidazol-1-yl)acetate (CID 8849826) is [(1S)-1-(2-chlorophenyl)ethyl] 2-(2-methylbenzimidazol-1-yl)acetate.
What is the SMILES notation for [(1S)-1-(2-chlorophenyl)ethyl] 2-(2-methylbenzimidazol-1-yl)acetate?
The canonical SMILES for [(1S)-1-(2-chlorophenyl)ethyl] 2-(2-methylbenzimidazol-1-yl)acetate is Cc1nc2ccccc2n1CC(=O)O[C@@H](C)c1ccccc1Cl.
What is the InChIKey of [(1S)-1-(2-chlorophenyl)ethyl] 2-(2-methylbenzimidazol-1-yl)acetate?
The InChIKey is XHEQYZKLMGSYGO-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H17ClN2O2/c1-12(14-7-3-4-8-15(14)19)23-18(22)11-21-13(2)20-16-9-5-6-10-17(16)21/h3-10,12H,11H2,1-2H3/t12-/m0/s1.
What are the key properties of [(1S)-1-(2-chlorophenyl)ethyl] 2-(2-methylbenzimidazol-1-yl)acetate?
[(1S)-1-(2-chlorophenyl)ethyl] 2-(2-methylbenzimidazol-1-yl)acetate has a molecular weight of 328.80 g/mol, XLogP of 4.30, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-(2-chlorophenyl)ethyl] 2-(2-methylbenzimidazol-1-yl)acetate is sourced from PubChem (CID 8849826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).