3-[(5-chloro-1-propylbenzimidazol-2-yl)sulfanylmethyl]-N,N-dimethylbenzamide

C20H22ClN3OS — CID 55989182

IUPAC3-[(5-chloro-1-propylbenzimidazol-2-yl)sulfanylmethyl]-N,N-dimethylbenzamide
SMILESCCCn1c(SCc2cccc(C(=O)N(C)C)c2)nc2cc(Cl)ccc21
InChIInChI=1S/C20H22ClN3OS/c1-4-10-24-18-9-8-16(21)12-17(18)22-20(24)26-13-14-6-5-7-15(11-14)19(25)23(2)3/h5-9,11-12H,4,10,13H2,1-3H3
InChIKeyVZSDWOXQWRDGSX-UHFFFAOYSA-N
MW387.94 g/mol
LogP5.09
Rot. Bonds6

About 3-[(5-chloro-1-propylbenzimidazol-2-yl)sulfanylmethyl]-N,N-dimethylbenzamide

3-[(5-chloro-1-propylbenzimidazol-2-yl)sulfanylmethyl]-N,N-dimethylbenzamide (PubChem CID 55989182) has the molecular formula C20H22ClN3OS and a molecular weight of 387.94 g/mol. Its IUPAC name is 3-[(5-chloro-1-propylbenzimidazol-2-yl)sulfanylmethyl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-[(5-chloro-1-propylbenzimidazol-2-yl)sulfanylmethyl]-N,N-dimethylbenzamide
PubChem CID55989182
Molecular FormulaC20H22ClN3OS
Molecular Weight387.94 g/mol
Exact Mass387.12
IUPAC Name3-[(5-chloro-1-propylbenzimidazol-2-yl)sulfanylmethyl]-N,N-dimethylbenzamide
SMILESCCCn1c(SCc2cccc(C(=O)N(C)C)c2)nc2cc(Cl)ccc21
InChIInChI=1S/C20H22ClN3OS/c1-4-10-24-18-9-8-16(21)12-17(18)22-20(24)26-13-14-6-5-7-15(11-14)19(25)23(2)3/h5-9,11-12H,4,10,13H2,1-3H3
InChIKeyVZSDWOXQWRDGSX-UHFFFAOYSA-N
XLogP5.09
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.94
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-chloro-1-propylbenzimidazol-2-yl)sulfanyl-N-[(3-methoxyphenyl)methyl]acetamide
CID 16542555
2-(5-chloro-1-propylbenzimidazol-2-yl)sulfanyl-N-(2-methoxyethyl)acetamide
CID 7829532
3-[[4-benzyl-5-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-N,N-dimethylbenzamide
CID 55980174
N-[4-[(5-chloro-1-propylbenzimidazol-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-ethylacetamide
CID 33325060
N,N-dimethyl-3-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzamide
CID 75505415
ethyl 2-[(3-chlorophenyl)methylsulfanyl]-1-(3-ethoxypropyl)benzimidazole-5-carboxylate
CID 46101819
N,N-dimethyl-3-[(3-methyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanylmethyl]benzamide
CID 55988670
2-(5-chloro-1-propylbenzimidazol-2-yl)sulfanyl-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 34929552
2-[5-chloro-1-[2-[ethyl(methyl)amino]ethyl]benzimidazol-2-yl]sulfanylacetic acid
CID 62640374
4-[(5-chloro-1-propylbenzimidazol-2-yl)sulfanylmethyl]-3,5-dimethyl-1,2-oxazole
CID 112785367
ethyl 2-[(3-methoxycarbonylphenyl)methylsulfanyl]-1-(2-methoxyethyl)benzimidazole-5-carboxylate
CID 46101542
2-(1-benzyl-5-chlorobenzimidazol-2-yl)sulfanylacetic acid
CID 5011390

Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloro-1-propylbenzimidazol-2-yl)sulfanylmethyl]-N,N-dimethylbenzamide?
The IUPAC name of 3-[(5-chloro-1-propylbenzimidazol-2-yl)sulfanylmethyl]-N,N-dimethylbenzamide (CID 55989182) is 3-[(5-chloro-1-propylbenzimidazol-2-yl)sulfanylmethyl]-N,N-dimethylbenzamide.
What is the SMILES notation for 3-[(5-chloro-1-propylbenzimidazol-2-yl)sulfanylmethyl]-N,N-dimethylbenzamide?
The canonical SMILES for 3-[(5-chloro-1-propylbenzimidazol-2-yl)sulfanylmethyl]-N,N-dimethylbenzamide is CCCn1c(SCc2cccc(C(=O)N(C)C)c2)nc2cc(Cl)ccc21.
What is the InChIKey of 3-[(5-chloro-1-propylbenzimidazol-2-yl)sulfanylmethyl]-N,N-dimethylbenzamide?
The InChIKey is VZSDWOXQWRDGSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3OS/c1-4-10-24-18-9-8-16(21)12-17(18)22-20(24)26-13-14-6-5-7-15(11-14)19(25)23(2)3/h5-9,11-12H,4,10,13H2,1-3H3.
What are the key properties of 3-[(5-chloro-1-propylbenzimidazol-2-yl)sulfanylmethyl]-N,N-dimethylbenzamide?
3-[(5-chloro-1-propylbenzimidazol-2-yl)sulfanylmethyl]-N,N-dimethylbenzamide has a molecular weight of 387.94 g/mol, XLogP of 5.09, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chloro-1-propylbenzimidazol-2-yl)sulfanylmethyl]-N,N-dimethylbenzamide is sourced from PubChem (CID 55989182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).