(2-ethylsulfanylbenzimidazol-1-yl)-naphthalen-1-ylmethanone

C20H16N2OS — CID 880169

IUPAC(2-ethylsulfanylbenzimidazol-1-yl)-naphthalen-1-ylmethanone
SMILESCCSc1nc2ccccc2n1C(=O)c1cccc2ccccc12
InChIInChI=1S/C20H16N2OS/c1-2-24-20-21-17-12-5-6-13-18(17)22(20)19(23)16-11-7-9-14-8-3-4-10-15(14)16/h3-13H,2H2,1H3
InChIKeyRVIKOGBPNQGQAH-UHFFFAOYSA-N
MW332.43 g/mol
LogP4.99
Rot. Bonds3

About (2-ethylsulfanylbenzimidazol-1-yl)-naphthalen-1-ylmethanone

(2-ethylsulfanylbenzimidazol-1-yl)-naphthalen-1-ylmethanone (PubChem CID 880169) has the molecular formula C20H16N2OS and a molecular weight of 332.43 g/mol. Its IUPAC name is (2-ethylsulfanylbenzimidazol-1-yl)-naphthalen-1-ylmethanone.

Molecular Properties

Compound Name(2-ethylsulfanylbenzimidazol-1-yl)-naphthalen-1-ylmethanone
PubChem CID880169
Molecular FormulaC20H16N2OS
Molecular Weight332.43 g/mol
Exact Mass332.10
IUPAC Name(2-ethylsulfanylbenzimidazol-1-yl)-naphthalen-1-ylmethanone
SMILESCCSc1nc2ccccc2n1C(=O)c1cccc2ccccc12
InChIInChI=1S/C20H16N2OS/c1-2-24-20-21-17-12-5-6-13-18(17)22(20)19(23)16-11-7-9-14-8-3-4-10-15(14)16/h3-13H,2H2,1H3
InChIKeyRVIKOGBPNQGQAH-UHFFFAOYSA-N
XLogP4.99
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(E)-1-(2-ethylsulfanylbenzimidazol-1-yl)-3-thiophen-2-ylprop-2-en-1-one
CID 5347473
(2-ethylsulfanyl-4,5-dihydroimidazol-1-yl)-naphthalen-1-ylmethanone
CID 4124860
ethyl 2-[(3-fluorophenyl)methylsulfanyl]benzimidazole-1-carboxylate
CID 3643648
S-[1-(2-chlorobenzoyl)benzimidazol-2-yl] 2-chlorobenzenecarbothioate
CID 23877965
2-methylsulfanylbenzimidazole-1-carboxamide
CID 67564137
(5-methyl-2-phenylbenzimidazol-1-yl)-naphthalen-1-ylmethanone
CID 155598873
(5-chloro-2-phenylbenzimidazol-1-yl)-naphthalen-1-ylmethanone
CID 164941875
2-ethylsulfanyl-1-[(2-methylnaphthalen-1-yl)methyl]benzimidazole
CID 882682
2-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]sulfanylacetamide
CID 817609
(4-methoxyphenyl)-(2-prop-2-enylsulfanylbenzimidazol-1-yl)methanone
CID 4228084
N-[(1S)-1-(2-benzylsulfanylbenzimidazol-1-yl)-2,2,2-trichloroethyl]naphthalene-1-carboxamide
CID 94379428
1-benzyl-2-ethylsulfanylbenzimidazole
CID 700789

Frequently Asked Questions

What is the IUPAC name of (2-ethylsulfanylbenzimidazol-1-yl)-naphthalen-1-ylmethanone?
The IUPAC name of (2-ethylsulfanylbenzimidazol-1-yl)-naphthalen-1-ylmethanone (CID 880169) is (2-ethylsulfanylbenzimidazol-1-yl)-naphthalen-1-ylmethanone.
What is the SMILES notation for (2-ethylsulfanylbenzimidazol-1-yl)-naphthalen-1-ylmethanone?
The canonical SMILES for (2-ethylsulfanylbenzimidazol-1-yl)-naphthalen-1-ylmethanone is CCSc1nc2ccccc2n1C(=O)c1cccc2ccccc12.
What is the InChIKey of (2-ethylsulfanylbenzimidazol-1-yl)-naphthalen-1-ylmethanone?
The InChIKey is RVIKOGBPNQGQAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2OS/c1-2-24-20-21-17-12-5-6-13-18(17)22(20)19(23)16-11-7-9-14-8-3-4-10-15(14)16/h3-13H,2H2,1H3.
What are the key properties of (2-ethylsulfanylbenzimidazol-1-yl)-naphthalen-1-ylmethanone?
(2-ethylsulfanylbenzimidazol-1-yl)-naphthalen-1-ylmethanone has a molecular weight of 332.43 g/mol, XLogP of 4.99, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylsulfanylbenzimidazol-1-yl)-naphthalen-1-ylmethanone is sourced from PubChem (CID 880169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).