(4R)-5-[2-[(4,6-dichloro-1H-benzimidazol-2-yl)sulfanyl]acetyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one

C19H16Cl2N4O2S — CID 25369733

IUPAC(4R)-5-[2-[(4,6-dichloro-1H-benzimidazol-2-yl)sulfanyl]acetyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one
SMILESC[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CSc1nc2c(Cl)cc(Cl)cc2[nH]1
InChIInChI=1S/C19H16Cl2N4O2S/c1-10-6-16(26)22-13-4-2-3-5-15(13)25(10)17(27)9-28-19-23-14-8-11(20)7-12(21)18(14)24-19/h2-5,7-8,10H,6,9H2,1H3,(H,22,26)(H,23,24)/t10-/m1/s1
InChIKeyOSLAREFRAHOGTR-SNVBAGLBSA-N
MW435.34 g/mol
LogP4.73
Rot. Bonds3

About (4R)-5-[2-[(4,6-dichloro-1H-benzimidazol-2-yl)sulfanyl]acetyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one

(4R)-5-[2-[(4,6-dichloro-1H-benzimidazol-2-yl)sulfanyl]acetyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one (PubChem CID 25369733) has the molecular formula C19H16Cl2N4O2S and a molecular weight of 435.34 g/mol. Its IUPAC name is (4R)-5-[2-[(4,6-dichloro-1H-benzimidazol-2-yl)sulfanyl]acetyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one.

Molecular Properties

Compound Name(4R)-5-[2-[(4,6-dichloro-1H-benzimidazol-2-yl)sulfanyl]acetyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one
PubChem CID25369733
Molecular FormulaC19H16Cl2N4O2S
Molecular Weight435.34 g/mol
Exact Mass434.04
IUPAC Name(4R)-5-[2-[(4,6-dichloro-1H-benzimidazol-2-yl)sulfanyl]acetyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one
SMILESC[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CSc1nc2c(Cl)cc(Cl)cc2[nH]1
InChIInChI=1S/C19H16Cl2N4O2S/c1-10-6-16(26)22-13-4-2-3-5-15(13)25(10)17(27)9-28-19-23-14-8-11(20)7-12(21)18(14)24-19/h2-5,7-8,10H,6,9H2,1H3,(H,22,26)(H,23,24)/t10-/m1/s1
InChIKeyOSLAREFRAHOGTR-SNVBAGLBSA-N
XLogP4.73
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.34
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Launch Full Analysis

Related Compounds

(4S)-4-methyl-5-[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]-3,4-dihydro-1H-1,5-benzodiazepin-2-one
CID 40505811
4-methyl-5-(2-naphthalen-2-ylsulfanylacetyl)-3,4-dihydro-1H-1,5-benzodiazepin-2-one
CID 46805313
methyl 2-[2-[2-[(4R)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]sulfanyl-6-oxo-1H-pyrimidin-4-yl]acetate
CID 135780702
5-[2-(4-fluorophenyl)sulfanylacetyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one
CID 46805072
(4R)-4-methyl-5-[2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanylacetyl]-3,4-dihydro-1H-1,5-benzodiazepin-2-one
CID 40917424
(4S)-4-methyl-5-[2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanylacetyl]-3,4-dihydro-1H-1,5-benzodiazepin-2-one
CID 40917421
(4S)-5-[2-[[4-(2-chlorophenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one
CID 41083576
(4S)-5-[2-(4-bromophenyl)sulfanylacetyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one
CID 7560327
(4S)-5-[2-(1-ethylbenzimidazol-2-yl)sulfanylacetyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one
CID 40657195
(4R)-4-methyl-5-[2-(1-methylimidazol-2-yl)sulfanylacetyl]-3,4-dihydro-1H-1,5-benzodiazepin-2-one
CID 40505813
(4R)-4-methyl-5-(2-phthalazin-1-ylsulfanylacetyl)-3,4-dihydro-1H-1,5-benzodiazepin-2-one
CID 25484630
(4S)-5-[2-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]acetyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one
CID 41113106

Frequently Asked Questions

What is the IUPAC name of (4R)-5-[2-[(4,6-dichloro-1H-benzimidazol-2-yl)sulfanyl]acetyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one?
The IUPAC name of (4R)-5-[2-[(4,6-dichloro-1H-benzimidazol-2-yl)sulfanyl]acetyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one (CID 25369733) is (4R)-5-[2-[(4,6-dichloro-1H-benzimidazol-2-yl)sulfanyl]acetyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one.
What is the SMILES notation for (4R)-5-[2-[(4,6-dichloro-1H-benzimidazol-2-yl)sulfanyl]acetyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one?
The canonical SMILES for (4R)-5-[2-[(4,6-dichloro-1H-benzimidazol-2-yl)sulfanyl]acetyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one is C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CSc1nc2c(Cl)cc(Cl)cc2[nH]1.
What is the InChIKey of (4R)-5-[2-[(4,6-dichloro-1H-benzimidazol-2-yl)sulfanyl]acetyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one?
The InChIKey is OSLAREFRAHOGTR-SNVBAGLBSA-N. The full InChI is InChI=1S/C19H16Cl2N4O2S/c1-10-6-16(26)22-13-4-2-3-5-15(13)25(10)17(27)9-28-19-23-14-8-11(20)7-12(21)18(14)24-19/h2-5,7-8,10H,6,9H2,1H3,(H,22,26)(H,23,24)/t10-/m1/s1.
What are the key properties of (4R)-5-[2-[(4,6-dichloro-1H-benzimidazol-2-yl)sulfanyl]acetyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one?
(4R)-5-[2-[(4,6-dichloro-1H-benzimidazol-2-yl)sulfanyl]acetyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one has a molecular weight of 435.34 g/mol, XLogP of 4.73, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-5-[2-[(4,6-dichloro-1H-benzimidazol-2-yl)sulfanyl]acetyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one is sourced from PubChem (CID 25369733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).