4-[(5-chloro-1-propylbenzimidazol-2-yl)sulfanylmethyl]-3,5-dimethyl-1,2-oxazole

C16H18ClN3OS — CID 112785367

IUPAC4-[(5-chloro-1-propylbenzimidazol-2-yl)sulfanylmethyl]-3,5-dimethyl-1,2-oxazole
SMILESCCCn1c(SCc2c(C)noc2C)nc2cc(Cl)ccc21
InChIInChI=1S/C16H18ClN3OS/c1-4-7-20-15-6-5-12(17)8-14(15)18-16(20)22-9-13-10(2)19-21-11(13)3/h5-6,8H,4,7,9H2,1-3H3
InChIKeyCQTQVPIETRARHJ-UHFFFAOYSA-N
MW335.86 g/mol
LogP5.00
Rot. Bonds5

About 4-[(5-chloro-1-propylbenzimidazol-2-yl)sulfanylmethyl]-3,5-dimethyl-1,2-oxazole

4-[(5-chloro-1-propylbenzimidazol-2-yl)sulfanylmethyl]-3,5-dimethyl-1,2-oxazole (PubChem CID 112785367) has the molecular formula C16H18ClN3OS and a molecular weight of 335.86 g/mol. Its IUPAC name is 4-[(5-chloro-1-propylbenzimidazol-2-yl)sulfanylmethyl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-[(5-chloro-1-propylbenzimidazol-2-yl)sulfanylmethyl]-3,5-dimethyl-1,2-oxazole
PubChem CID112785367
Molecular FormulaC16H18ClN3OS
Molecular Weight335.86 g/mol
Exact Mass335.09
IUPAC Name4-[(5-chloro-1-propylbenzimidazol-2-yl)sulfanylmethyl]-3,5-dimethyl-1,2-oxazole
SMILESCCCn1c(SCc2c(C)noc2C)nc2cc(Cl)ccc21
InChIInChI=1S/C16H18ClN3OS/c1-4-7-20-15-6-5-12(17)8-14(15)18-16(20)22-9-13-10(2)19-21-11(13)3/h5-6,8H,4,7,9H2,1-3H3
InChIKeyCQTQVPIETRARHJ-UHFFFAOYSA-N
XLogP5.00
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.86
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-dimethyl-4-[(1-pentylbenzimidazol-2-yl)sulfanylmethyl]-1,2-oxazole
CID 112774724
5-chloro-2-methyl-1-propylbenzimidazole
CID 46310722
5-chloro-2-ethyl-1-propylbenzimidazole
CID 46310723
3-[(5-chloro-1-propylbenzimidazol-2-yl)sulfanylmethyl]-N,N-dimethylbenzamide
CID 55989182
2-(5-chloro-1-propylbenzimidazol-2-yl)sulfanyl-1-(2,6-dimethylmorpholin-4-yl)ethanone
CID 42988459
4-chloro-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]aniline
CID 79527782
N-[4-[(5-chloro-1-propylbenzimidazol-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-ethylacetamide
CID 33325060
3-(3-chlorophenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]quinazolin-4-one
CID 7191416
2-(5-chloro-1-propylbenzimidazol-2-yl)sulfanyl-N-(2-methoxyethyl)acetamide
CID 7829532
5-[(5-chloro-1-propylbenzimidazol-2-yl)sulfanylmethyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 46479460
2-butan-2-yl-5-chloro-1-propylbenzimidazole
CID 46310727
2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1-propylbenzimidazole-5-sulfonamide
CID 134012414

Frequently Asked Questions

What is the IUPAC name of 4-[(5-chloro-1-propylbenzimidazol-2-yl)sulfanylmethyl]-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-[(5-chloro-1-propylbenzimidazol-2-yl)sulfanylmethyl]-3,5-dimethyl-1,2-oxazole (CID 112785367) is 4-[(5-chloro-1-propylbenzimidazol-2-yl)sulfanylmethyl]-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-[(5-chloro-1-propylbenzimidazol-2-yl)sulfanylmethyl]-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-[(5-chloro-1-propylbenzimidazol-2-yl)sulfanylmethyl]-3,5-dimethyl-1,2-oxazole is CCCn1c(SCc2c(C)noc2C)nc2cc(Cl)ccc21.
What is the InChIKey of 4-[(5-chloro-1-propylbenzimidazol-2-yl)sulfanylmethyl]-3,5-dimethyl-1,2-oxazole?
The InChIKey is CQTQVPIETRARHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3OS/c1-4-7-20-15-6-5-12(17)8-14(15)18-16(20)22-9-13-10(2)19-21-11(13)3/h5-6,8H,4,7,9H2,1-3H3.
What are the key properties of 4-[(5-chloro-1-propylbenzimidazol-2-yl)sulfanylmethyl]-3,5-dimethyl-1,2-oxazole?
4-[(5-chloro-1-propylbenzimidazol-2-yl)sulfanylmethyl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 335.86 g/mol, XLogP of 5.00, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-chloro-1-propylbenzimidazol-2-yl)sulfanylmethyl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 112785367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).