[(1S)-1-(6-chloro-1H-benzimidazol-2-yl)ethyl] 3-indol-1-ylpropanoate

C20H18ClN3O2 — CID 99807038

IUPAC[(1S)-1-(6-chloro-1H-benzimidazol-2-yl)ethyl] 3-indol-1-ylpropanoate
SMILESC[C@H](OC(=O)CCn1ccc2ccccc21)c1nc2ccc(Cl)cc2[nH]1
InChIInChI=1S/C20H18ClN3O2/c1-13(20-22-16-7-6-15(21)12-17(16)23-20)26-19(25)9-11-24-10-8-14-4-2-3-5-18(14)24/h2-8,10,12-13H,9,11H2,1H3,(H,22,23)/t13-/m0/s1
InChIKeyDJYUUBOVKKCCJX-ZDUSSCGKSA-N
MW367.84 g/mol
LogP4.87
Rot. Bonds5

About [(1S)-1-(6-chloro-1H-benzimidazol-2-yl)ethyl] 3-indol-1-ylpropanoate

[(1S)-1-(6-chloro-1H-benzimidazol-2-yl)ethyl] 3-indol-1-ylpropanoate (PubChem CID 99807038) has the molecular formula C20H18ClN3O2 and a molecular weight of 367.84 g/mol. Its IUPAC name is [(1S)-1-(6-chloro-1H-benzimidazol-2-yl)ethyl] 3-indol-1-ylpropanoate.

Molecular Properties

Compound Name[(1S)-1-(6-chloro-1H-benzimidazol-2-yl)ethyl] 3-indol-1-ylpropanoate
PubChem CID99807038
Molecular FormulaC20H18ClN3O2
Molecular Weight367.84 g/mol
Exact Mass367.11
IUPAC Name[(1S)-1-(6-chloro-1H-benzimidazol-2-yl)ethyl] 3-indol-1-ylpropanoate
SMILESC[C@H](OC(=O)CCn1ccc2ccccc21)c1nc2ccc(Cl)cc2[nH]1
InChIInChI=1S/C20H18ClN3O2/c1-13(20-22-16-7-6-15(21)12-17(16)23-20)26-19(25)9-11-24-10-8-14-4-2-3-5-18(14)24/h2-8,10,12-13H,9,11H2,1H3,(H,22,23)/t13-/m0/s1
InChIKeyDJYUUBOVKKCCJX-ZDUSSCGKSA-N
XLogP4.87
TPSA59.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.84
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(1R)-1-(6-chloro-1H-benzimidazol-2-yl)ethyl] 3-indol-1-ylpropanoate
CID 99807039
[(1R)-1-(6-chloro-1H-benzimidazol-2-yl)ethyl] 2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]acetate
CID 99807043
(2-fluorophenyl) 3-indol-1-ylpropanoate
CID 86919496
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-indol-1-ylacetamide
CID 86207491
N-[(5-chloro-2-methoxyphenyl)methyl]-3-indol-1-yl-N-methylpropanamide
CID 40686377
1-(6-nitro-1H-benzimidazol-2-yl)ethyl hexadecanoate
CID 141392972
2-(1-bromoethyl)-6-chloro-1H-benzimidazole
CID 82020457
6-chloro-2-[(1S)-1-(4-methylphenoxy)ethyl]-1H-benzimidazole
CID 51612369
6-chloro-2-[(1R)-1-(4-propan-2-ylphenoxy)ethyl]-1H-benzimidazole
CID 51662859
2-chloro-N-[1-(6-chloro-1H-benzimidazol-2-yl)ethyl]-N-methylacetamide
CID 146094480
N-[1-(6-chloro-1H-benzimidazol-2-yl)ethyl]-2-methyl-3-methylsulfanylpropanamide
CID 126798049
(3-methyl-1,2,4-oxadiazol-5-yl)methyl 3-indol-1-ylpropanoate
CID 24648877

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-(6-chloro-1H-benzimidazol-2-yl)ethyl] 3-indol-1-ylpropanoate?
The IUPAC name of [(1S)-1-(6-chloro-1H-benzimidazol-2-yl)ethyl] 3-indol-1-ylpropanoate (CID 99807038) is [(1S)-1-(6-chloro-1H-benzimidazol-2-yl)ethyl] 3-indol-1-ylpropanoate.
What is the SMILES notation for [(1S)-1-(6-chloro-1H-benzimidazol-2-yl)ethyl] 3-indol-1-ylpropanoate?
The canonical SMILES for [(1S)-1-(6-chloro-1H-benzimidazol-2-yl)ethyl] 3-indol-1-ylpropanoate is C[C@H](OC(=O)CCn1ccc2ccccc21)c1nc2ccc(Cl)cc2[nH]1.
What is the InChIKey of [(1S)-1-(6-chloro-1H-benzimidazol-2-yl)ethyl] 3-indol-1-ylpropanoate?
The InChIKey is DJYUUBOVKKCCJX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H18ClN3O2/c1-13(20-22-16-7-6-15(21)12-17(16)23-20)26-19(25)9-11-24-10-8-14-4-2-3-5-18(14)24/h2-8,10,12-13H,9,11H2,1H3,(H,22,23)/t13-/m0/s1.
What are the key properties of [(1S)-1-(6-chloro-1H-benzimidazol-2-yl)ethyl] 3-indol-1-ylpropanoate?
[(1S)-1-(6-chloro-1H-benzimidazol-2-yl)ethyl] 3-indol-1-ylpropanoate has a molecular weight of 367.84 g/mol, XLogP of 4.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-(6-chloro-1H-benzimidazol-2-yl)ethyl] 3-indol-1-ylpropanoate is sourced from PubChem (CID 99807038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).