6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepin-5-yl-(4-thiophen-2-ylphenyl)methanone

C23H18N2OS — CID 15298022

IUPAC6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepin-5-yl-(4-thiophen-2-ylphenyl)methanone
SMILESO=C(c1ccc(-c2cccs2)cc1)N1Cc2cccn2Cc2ccccc21
InChIInChI=1S/C23H18N2OS/c26-23(18-11-9-17(10-12-18)22-8-4-14-27-22)25-16-20-6-3-13-24(20)15-19-5-1-2-7-21(19)25/h1-14H,15-16H2
InChIKeyWDRUOMSFIMDSAM-UHFFFAOYSA-N
MW370.48 g/mol
LogP5.43
Rot. Bonds2

About 6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepin-5-yl-(4-thiophen-2-ylphenyl)methanone

6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepin-5-yl-(4-thiophen-2-ylphenyl)methanone (PubChem CID 15298022) has the molecular formula C23H18N2OS and a molecular weight of 370.48 g/mol. Its IUPAC name is 6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepin-5-yl-(4-thiophen-2-ylphenyl)methanone.

Molecular Properties

Compound Name6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepin-5-yl-(4-thiophen-2-ylphenyl)methanone
PubChem CID15298022
Molecular FormulaC23H18N2OS
Molecular Weight370.48 g/mol
Exact Mass370.11
IUPAC Name6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepin-5-yl-(4-thiophen-2-ylphenyl)methanone
SMILESO=C(c1ccc(-c2cccs2)cc1)N1Cc2cccn2Cc2ccccc21
InChIInChI=1S/C23H18N2OS/c26-23(18-11-9-17(10-12-18)22-8-4-14-27-22)25-16-20-6-3-13-24(20)15-19-5-1-2-7-21(19)25/h1-14H,15-16H2
InChIKeyWDRUOMSFIMDSAM-UHFFFAOYSA-N
XLogP5.43
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.48
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Pyrrolidin-1-yl-[4-[quinolin-8-yl-[1-(1,3-thiazol-4-ylmethyl)piperidin-4-ylidene]methyl]phenyl]methanone
CID 57394197
N-{(Z)-1-[2-(1H-Indol-3-yl)-ethylcarbamoyl]-2-thiophen-2-yl-vinyl}-4-methyl-benzamide
CID 6509573
(5H,11H-Benzo[e]pyrrolo[1,2-a][1,4]diazepin-10-yl)-biphenyl-4-yl-methanone
CID 9799174
10,11-Dihydro-10-[4-(2-methylphenyl)benzoyl]-5H-pyrrolo[2,1-c][1,4]benzodiazepine
CID 10156521
N-[4-(5H,11H-Benzo[e]pyrrolo[1,2-a][1,4]diazepine-10-carbonyl)-phenyl]-2-methylsulfanyl-benzamide
CID 21837162
(5H,11H-Benzo[e]pyrrolo[1,2-a][1,4]diazepin-10-yl)-(4''-propyl-biphenyl-4-yl)-methanone
CID 22405322
(5H,11H-Benzo[e]pyrrolo[1,2-a][1,4]diazepin-10-yl)-[4-(toluene-4-sulfonyl)-phenyl]-methanone
CID 22405324
(3-Dimethylaminomethyl-5H,11H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-10-yl)-(4-thiophen-2-yl-phenyl)-methanone
CID 22405325
10,11-Dihydro-10-[4-(3,5-difluorophenyl)benzoyl]-5H-pyrrolo[2,1-c][1,4]benzodiazepine
CID 22405331
N-(2-pyrrolidin-1-ylethyl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 42749430
US9670157, 8 2,5-Dimethyl-1-(5-pyridin-3-yl-thiophen-3-ylmethyl)-1H-pyrrole-3-carboxylic acid 4-aminomethyl-benzylamide
CID 90280284
[2-(5-Methyl-2-thiophenyl)-4-quinolinyl]-(1-pyrrolidinyl)methanone
CID 898403

Frequently Asked Questions

What is the IUPAC name of 6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepin-5-yl-(4-thiophen-2-ylphenyl)methanone?
The IUPAC name of 6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepin-5-yl-(4-thiophen-2-ylphenyl)methanone (CID 15298022) is 6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepin-5-yl-(4-thiophen-2-ylphenyl)methanone.
What is the SMILES notation for 6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepin-5-yl-(4-thiophen-2-ylphenyl)methanone?
The canonical SMILES for 6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepin-5-yl-(4-thiophen-2-ylphenyl)methanone is O=C(c1ccc(-c2cccs2)cc1)N1Cc2cccn2Cc2ccccc21.
What is the InChIKey of 6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepin-5-yl-(4-thiophen-2-ylphenyl)methanone?
The InChIKey is WDRUOMSFIMDSAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2OS/c26-23(18-11-9-17(10-12-18)22-8-4-14-27-22)25-16-20-6-3-13-24(20)15-19-5-1-2-7-21(19)25/h1-14H,15-16H2.
What are the key properties of 6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepin-5-yl-(4-thiophen-2-ylphenyl)methanone?
6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepin-5-yl-(4-thiophen-2-ylphenyl)methanone has a molecular weight of 370.48 g/mol, XLogP of 5.43, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepin-5-yl-(4-thiophen-2-ylphenyl)methanone is sourced from PubChem (CID 15298022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).