2-(5-chloro-1-propylbenzimidazol-2-yl)sulfanyl-1-(2,6-dimethylmorpholin-4-yl)ethanone

C18H24ClN3O2S — CID 42988459

IUPAC2-(5-chloro-1-propylbenzimidazol-2-yl)sulfanyl-1-(2,6-dimethylmorpholin-4-yl)ethanone
SMILESCCCn1c(SCC(=O)N2CC(C)OC(C)C2)nc2cc(Cl)ccc21
InChIInChI=1S/C18H24ClN3O2S/c1-4-7-22-16-6-5-14(19)8-15(16)20-18(22)25-11-17(23)21-9-12(2)24-13(3)10-21/h5-6,8,12-13H,4,7,9-11H2,1-3H3
InChIKeyPOKKRXGFGKKAFS-UHFFFAOYSA-N
MW381.93 g/mol
LogP3.83
Rot. Bonds5

About 2-(5-chloro-1-propylbenzimidazol-2-yl)sulfanyl-1-(2,6-dimethylmorpholin-4-yl)ethanone

2-(5-chloro-1-propylbenzimidazol-2-yl)sulfanyl-1-(2,6-dimethylmorpholin-4-yl)ethanone (PubChem CID 42988459) has the molecular formula C18H24ClN3O2S and a molecular weight of 381.93 g/mol. Its IUPAC name is 2-(5-chloro-1-propylbenzimidazol-2-yl)sulfanyl-1-(2,6-dimethylmorpholin-4-yl)ethanone.

Molecular Properties

Compound Name2-(5-chloro-1-propylbenzimidazol-2-yl)sulfanyl-1-(2,6-dimethylmorpholin-4-yl)ethanone
PubChem CID42988459
Molecular FormulaC18H24ClN3O2S
Molecular Weight381.93 g/mol
Exact Mass381.13
IUPAC Name2-(5-chloro-1-propylbenzimidazol-2-yl)sulfanyl-1-(2,6-dimethylmorpholin-4-yl)ethanone
SMILESCCCn1c(SCC(=O)N2CC(C)OC(C)C2)nc2cc(Cl)ccc21
InChIInChI=1S/C18H24ClN3O2S/c1-4-7-22-16-6-5-14(19)8-15(16)20-18(22)25-11-17(23)21-9-12(2)24-13(3)10-21/h5-6,8,12-13H,4,7,9-11H2,1-3H3
InChIKeyPOKKRXGFGKKAFS-UHFFFAOYSA-N
XLogP3.83
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.93
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(5-chloro-1-propylbenzimidazol-2-yl)sulfanylacetyl]piperidine-4-carboxamide
CID 7829588
2-[5-chloro-1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-1-(2-methylmorpholin-4-yl)ethanone
CID 51293358
6-chloro-2-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]sulfanyl-3-(2-methylpropyl)quinazolin-4-one
CID 16510083
2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]-1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethanone
CID 2346559
2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethanone
CID 2381977
7-chloro-2-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]sulfanyl-3-(4-methylphenyl)quinazolin-4-one
CID 2086414
2-(5-chloro-1-propylbenzimidazol-2-yl)sulfanyl-N-(2-methoxyethyl)acetamide
CID 7829532
2-(5-chloro-1-propylbenzimidazol-2-yl)sulfanyl-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 33325390
2-[5-chloro-1-(3-methylbutyl)benzimidazol-2-yl]sulfanylacetic acid
CID 43659624
2-(5-chloro-1-methylbenzimidazol-2-yl)sulfanyl-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]ethanone
CID 47058492
2-[[4-amino-5-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethanone
CID 2588286
2-(5-chloro-1-propylbenzimidazol-2-yl)sulfanyl-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 34929552

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-1-propylbenzimidazol-2-yl)sulfanyl-1-(2,6-dimethylmorpholin-4-yl)ethanone?
The IUPAC name of 2-(5-chloro-1-propylbenzimidazol-2-yl)sulfanyl-1-(2,6-dimethylmorpholin-4-yl)ethanone (CID 42988459) is 2-(5-chloro-1-propylbenzimidazol-2-yl)sulfanyl-1-(2,6-dimethylmorpholin-4-yl)ethanone.
What is the SMILES notation for 2-(5-chloro-1-propylbenzimidazol-2-yl)sulfanyl-1-(2,6-dimethylmorpholin-4-yl)ethanone?
The canonical SMILES for 2-(5-chloro-1-propylbenzimidazol-2-yl)sulfanyl-1-(2,6-dimethylmorpholin-4-yl)ethanone is CCCn1c(SCC(=O)N2CC(C)OC(C)C2)nc2cc(Cl)ccc21.
What is the InChIKey of 2-(5-chloro-1-propylbenzimidazol-2-yl)sulfanyl-1-(2,6-dimethylmorpholin-4-yl)ethanone?
The InChIKey is POKKRXGFGKKAFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN3O2S/c1-4-7-22-16-6-5-14(19)8-15(16)20-18(22)25-11-17(23)21-9-12(2)24-13(3)10-21/h5-6,8,12-13H,4,7,9-11H2,1-3H3.
What are the key properties of 2-(5-chloro-1-propylbenzimidazol-2-yl)sulfanyl-1-(2,6-dimethylmorpholin-4-yl)ethanone?
2-(5-chloro-1-propylbenzimidazol-2-yl)sulfanyl-1-(2,6-dimethylmorpholin-4-yl)ethanone has a molecular weight of 381.93 g/mol, XLogP of 3.83, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-1-propylbenzimidazol-2-yl)sulfanyl-1-(2,6-dimethylmorpholin-4-yl)ethanone is sourced from PubChem (CID 42988459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).