methyl 2-[1-(phenothiazine-10-carbonyl)benzimidazol-2-yl]acetate

C23H17N3O3S — CID 171714486

IUPACmethyl 2-[1-(phenothiazine-10-carbonyl)benzimidazol-2-yl]acetate
SMILESCOC(=O)Cc1nc2ccccc2n1C(=O)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C23H17N3O3S/c1-29-22(27)14-21-24-15-8-2-3-9-16(15)26(21)23(28)25-17-10-4-6-12-19(17)30-20-13-7-5-11-18(20)25/h2-13H,14H2,1H3
InChIKeyKYJGFHNFXFTNNT-UHFFFAOYSA-N
MW415.47 g/mol
LogP5.02
Rot. Bonds2

About methyl 2-[1-(phenothiazine-10-carbonyl)benzimidazol-2-yl]acetate

methyl 2-[1-(phenothiazine-10-carbonyl)benzimidazol-2-yl]acetate (PubChem CID 171714486) has the molecular formula C23H17N3O3S and a molecular weight of 415.47 g/mol. Its IUPAC name is methyl 2-[1-(phenothiazine-10-carbonyl)benzimidazol-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-(phenothiazine-10-carbonyl)benzimidazol-2-yl]acetate
PubChem CID171714486
Molecular FormulaC23H17N3O3S
Molecular Weight415.47 g/mol
Exact Mass415.10
IUPAC Namemethyl 2-[1-(phenothiazine-10-carbonyl)benzimidazol-2-yl]acetate
SMILESCOC(=O)Cc1nc2ccccc2n1C(=O)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C23H17N3O3S/c1-29-22(27)14-21-24-15-8-2-3-9-16(15)26(21)23(28)25-17-10-4-6-12-19(17)30-20-13-7-5-11-18(20)25/h2-13H,14H2,1H3
InChIKeyKYJGFHNFXFTNNT-UHFFFAOYSA-N
XLogP5.02
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.47
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl 2-(2-methoxy-2-oxoethyl)benzimidazole-1-carboxylate
CID 129052197
methyl 2-[1-(2,2,2-trifluoroethyl)benzimidazol-2-yl]acetate
CID 79475042
methyl 2-[10-(2-methoxy-2-oxoethyl)-2,4,5,8,9,11-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaen-3-yl]acetate
CID 1480887
methyl 2-[5-methyl-3-(2-methylphenyl)-4-oxoquinazolin-2-yl]acetate
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methyl 2-[3-[(1-methylbenzimidazol-2-yl)methylamino]phenyl]acetate
CID 75518351
methyl 2-(3-methylimidazo[4,5-c]pyridin-2-yl)acetate
CID 114793213
methyl 2-[bis[(1-methylbenzimidazol-2-yl)methyl]amino]acetate
CID 86237797
1-(2-ethylbenzimidazol-1-yl)ethanone
CID 45078254
methyl 2-[2-[(2,6-dichlorophenyl)methyl]benzimidazol-1-yl]acetate
CID 86717115
(4-methoxyphenyl)-phenothiazin-10-ylmethanone
CID 1237217
methyl 2-[2-(3-hydroxypropyl)benzimidazol-1-yl]acetate
CID 16995551
methyl 3-(2-ethylbenzimidazol-1-yl)butanoate
CID 63106169

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-(phenothiazine-10-carbonyl)benzimidazol-2-yl]acetate?
The IUPAC name of methyl 2-[1-(phenothiazine-10-carbonyl)benzimidazol-2-yl]acetate (CID 171714486) is methyl 2-[1-(phenothiazine-10-carbonyl)benzimidazol-2-yl]acetate.
What is the SMILES notation for methyl 2-[1-(phenothiazine-10-carbonyl)benzimidazol-2-yl]acetate?
The canonical SMILES for methyl 2-[1-(phenothiazine-10-carbonyl)benzimidazol-2-yl]acetate is COC(=O)Cc1nc2ccccc2n1C(=O)N1c2ccccc2Sc2ccccc21.
What is the InChIKey of methyl 2-[1-(phenothiazine-10-carbonyl)benzimidazol-2-yl]acetate?
The InChIKey is KYJGFHNFXFTNNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N3O3S/c1-29-22(27)14-21-24-15-8-2-3-9-16(15)26(21)23(28)25-17-10-4-6-12-19(17)30-20-13-7-5-11-18(20)25/h2-13H,14H2,1H3.
What are the key properties of methyl 2-[1-(phenothiazine-10-carbonyl)benzimidazol-2-yl]acetate?
methyl 2-[1-(phenothiazine-10-carbonyl)benzimidazol-2-yl]acetate has a molecular weight of 415.47 g/mol, XLogP of 5.02, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-(phenothiazine-10-carbonyl)benzimidazol-2-yl]acetate is sourced from PubChem (CID 171714486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).