(1,3-dimethyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)-[3-(tetrazol-1-yl)phenyl]methanone

C19H20N6O — CID 71873432

IUPAC(1,3-dimethyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)-[3-(tetrazol-1-yl)phenyl]methanone
SMILESCC1CN(C)c2ccccc2N(C(=O)c2cccc(-n3cnnn3)c2)C1
InChIInChI=1S/C19H20N6O/c1-14-11-23(2)17-8-3-4-9-18(17)24(12-14)19(26)15-6-5-7-16(10-15)25-13-20-21-22-25/h3-10,13-14H,11-12H2,1-2H3
InChIKeyNOPTVJVQGJOVCC-UHFFFAOYSA-N
MW348.41 g/mol
LogP2.39
Rot. Bonds2

About (1,3-dimethyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)-[3-(tetrazol-1-yl)phenyl]methanone

(1,3-dimethyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)-[3-(tetrazol-1-yl)phenyl]methanone (PubChem CID 71873432) has the molecular formula C19H20N6O and a molecular weight of 348.41 g/mol. Its IUPAC name is (1,3-dimethyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)-[3-(tetrazol-1-yl)phenyl]methanone.

Molecular Properties

Compound Name(1,3-dimethyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)-[3-(tetrazol-1-yl)phenyl]methanone
PubChem CID71873432
Molecular FormulaC19H20N6O
Molecular Weight348.41 g/mol
Exact Mass348.17
IUPAC Name(1,3-dimethyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)-[3-(tetrazol-1-yl)phenyl]methanone
SMILESCC1CN(C)c2ccccc2N(C(=O)c2cccc(-n3cnnn3)c2)C1
InChIInChI=1S/C19H20N6O/c1-14-11-23(2)17-8-3-4-9-18(17)24(12-14)19(26)15-6-5-7-16(10-15)25-13-20-21-22-25/h3-10,13-14H,11-12H2,1-2H3
InChIKeyNOPTVJVQGJOVCC-UHFFFAOYSA-N
XLogP2.39
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (1,3-dimethyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)-[3-(tetrazol-1-yl)phenyl]methanone with MolForge

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Related Compounds

[(2S)-2-methyl-2,3-dihydroindol-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone
CID 25499914
[(3R)-3-methyl-3,4-dihydro-2H-quinolin-1-yl]-[2-(tetrazol-1-yl)phenyl]methanone
CID 95598699
[(2R)-2-methylmorpholin-4-yl]-[3-(tetrazol-1-yl)phenyl]methanone
CID 94017586
[(3R)-3-methylpiperazin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone
CID 166233275
[(2S)-4-methyl-2-phenylpiperazin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone
CID 37333010
(2-methyl-1,3-thiazolidin-3-yl)-[3-(tetrazol-1-yl)phenyl]methanone
CID 122331774
(3-hydroxypiperidin-1-yl)-[3-(tetrazol-1-yl)phenyl]methanone
CID 110881986
[3-(methylamino)piperidin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone
CID 119490146
(2,3-dimethylpiperazin-1-yl)-[3-(tetrazol-1-yl)phenyl]methanone;hydrochloride
CID 120572200
(5-bromo-2,3-dihydroindol-1-yl)-[3-(tetrazol-1-yl)phenyl]methanone
CID 51126615
[(3S)-3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone
CID 52523347
N-[(1R,2S)-2-methylcyclohexyl]-3-(tetrazol-1-yl)benzamide
CID 28935459

Frequently Asked Questions

What is the IUPAC name of (1,3-dimethyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)-[3-(tetrazol-1-yl)phenyl]methanone?
The IUPAC name of (1,3-dimethyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)-[3-(tetrazol-1-yl)phenyl]methanone (CID 71873432) is (1,3-dimethyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)-[3-(tetrazol-1-yl)phenyl]methanone.
What is the SMILES notation for (1,3-dimethyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)-[3-(tetrazol-1-yl)phenyl]methanone?
The canonical SMILES for (1,3-dimethyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)-[3-(tetrazol-1-yl)phenyl]methanone is CC1CN(C)c2ccccc2N(C(=O)c2cccc(-n3cnnn3)c2)C1.
What is the InChIKey of (1,3-dimethyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)-[3-(tetrazol-1-yl)phenyl]methanone?
The InChIKey is NOPTVJVQGJOVCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O/c1-14-11-23(2)17-8-3-4-9-18(17)24(12-14)19(26)15-6-5-7-16(10-15)25-13-20-21-22-25/h3-10,13-14H,11-12H2,1-2H3.
What are the key properties of (1,3-dimethyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)-[3-(tetrazol-1-yl)phenyl]methanone?
(1,3-dimethyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)-[3-(tetrazol-1-yl)phenyl]methanone has a molecular weight of 348.41 g/mol, XLogP of 2.39, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-dimethyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)-[3-(tetrazol-1-yl)phenyl]methanone is sourced from PubChem (CID 71873432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).