3-[(5-amino-1H-imidazol-2-yl)sulfanyl]-4-phenyl-1,3-dihydro-1,5-benzodiazepin-2-one

C18H15N5OS — CID 139235275

IUPAC3-[(5-amino-1H-imidazol-2-yl)sulfanyl]-4-phenyl-1,3-dihydro-1,5-benzodiazepin-2-one
SMILESNc1cnc(SC2C(=O)Nc3ccccc3N=C2c2ccccc2)[nH]1
InChIInChI=1S/C18H15N5OS/c19-14-10-20-18(23-14)25-16-15(11-6-2-1-3-7-11)21-12-8-4-5-9-13(12)22-17(16)24/h1-10,16H,19H2,(H,20,23)(H,22,24)
InChIKeyGZWZDJVQHATXPW-UHFFFAOYSA-N
MW349.42 g/mol
LogP3.23
Rot. Bonds3

About 3-[(5-amino-1H-imidazol-2-yl)sulfanyl]-4-phenyl-1,3-dihydro-1,5-benzodiazepin-2-one

3-[(5-amino-1H-imidazol-2-yl)sulfanyl]-4-phenyl-1,3-dihydro-1,5-benzodiazepin-2-one (PubChem CID 139235275) has the molecular formula C18H15N5OS and a molecular weight of 349.42 g/mol. Its IUPAC name is 3-[(5-amino-1H-imidazol-2-yl)sulfanyl]-4-phenyl-1,3-dihydro-1,5-benzodiazepin-2-one.

Molecular Properties

Compound Name3-[(5-amino-1H-imidazol-2-yl)sulfanyl]-4-phenyl-1,3-dihydro-1,5-benzodiazepin-2-one
PubChem CID139235275
Molecular FormulaC18H15N5OS
Molecular Weight349.42 g/mol
Exact Mass349.10
IUPAC Name3-[(5-amino-1H-imidazol-2-yl)sulfanyl]-4-phenyl-1,3-dihydro-1,5-benzodiazepin-2-one
SMILESNc1cnc(SC2C(=O)Nc3ccccc3N=C2c2ccccc2)[nH]1
InChIInChI=1S/C18H15N5OS/c19-14-10-20-18(23-14)25-16-15(11-6-2-1-3-7-11)21-12-8-4-5-9-13(12)22-17(16)24/h1-10,16H,19H2,(H,20,23)(H,22,24)
InChIKeyGZWZDJVQHATXPW-UHFFFAOYSA-N
XLogP3.23
TPSA96.16 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.42
LogP ≤ 53.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-[(5-amino-1H-imidazol-2-yl)sulfanyl]-4-phenyl-1,3-dihydro-1,5-benzodiazepin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-oxo-4-phenyl-1,3-dihydro-1,5-benzodiazepine-3-carbaldehyde
CID 13199476
(3R)-4-phenyl-3-pyrrolidin-1-yl-1,3-dihydro-1,5-benzodiazepin-2-one
CID 26365907
(3R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-phenyl-1,3-dihydro-1,5-benzodiazepin-2-one
CID 7689392
3-bromo-4-(4-methoxyphenyl)-1,3-dihydro-1,5-benzodiazepin-2-one
CID 6425507
2-phenyl-1H-imidazol-5-amine
CID 14960439
2-phenyl-1H-imidazol-5-amine;ruthenium
CID 157104947
N-[4-(4-fluorophenyl)-2-oxo-1,3-dihydro-1,5-benzodiazepin-3-yl]-5-methyl-N-(4-morpholin-4-ylphenyl)pyrazine-2-carboxamide
CID 51361493
(4-methyl-2-oxo-1,3-dihydro-1,5-benzodiazepin-3-yl) morpholine-4-carbodithioate
CID 10520810
4-phenyl-3,10-dihydrofuro[3,4-b][1,5]benzodiazepin-1-one
CID 15141750
4-methyl-3-prop-2-enyl-1,3-dihydro-1,5-benzodiazepin-2-one
CID 23973711
N-[4-(4-methoxyphenyl)-2-oxo-1,3-dihydro-1,5-benzodiazepin-3-yl]-N-(2-phenylethyl)thiophene-2-carboxamide
CID 51361488
3-amino-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one;hydrobromide
CID 18917698

Frequently Asked Questions

What is the IUPAC name of 3-[(5-amino-1H-imidazol-2-yl)sulfanyl]-4-phenyl-1,3-dihydro-1,5-benzodiazepin-2-one?
The IUPAC name of 3-[(5-amino-1H-imidazol-2-yl)sulfanyl]-4-phenyl-1,3-dihydro-1,5-benzodiazepin-2-one (CID 139235275) is 3-[(5-amino-1H-imidazol-2-yl)sulfanyl]-4-phenyl-1,3-dihydro-1,5-benzodiazepin-2-one.
What is the SMILES notation for 3-[(5-amino-1H-imidazol-2-yl)sulfanyl]-4-phenyl-1,3-dihydro-1,5-benzodiazepin-2-one?
The canonical SMILES for 3-[(5-amino-1H-imidazol-2-yl)sulfanyl]-4-phenyl-1,3-dihydro-1,5-benzodiazepin-2-one is Nc1cnc(SC2C(=O)Nc3ccccc3N=C2c2ccccc2)[nH]1.
What is the InChIKey of 3-[(5-amino-1H-imidazol-2-yl)sulfanyl]-4-phenyl-1,3-dihydro-1,5-benzodiazepin-2-one?
The InChIKey is GZWZDJVQHATXPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5OS/c19-14-10-20-18(23-14)25-16-15(11-6-2-1-3-7-11)21-12-8-4-5-9-13(12)22-17(16)24/h1-10,16H,19H2,(H,20,23)(H,22,24).
What are the key properties of 3-[(5-amino-1H-imidazol-2-yl)sulfanyl]-4-phenyl-1,3-dihydro-1,5-benzodiazepin-2-one?
3-[(5-amino-1H-imidazol-2-yl)sulfanyl]-4-phenyl-1,3-dihydro-1,5-benzodiazepin-2-one has a molecular weight of 349.42 g/mol, XLogP of 3.23, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-amino-1H-imidazol-2-yl)sulfanyl]-4-phenyl-1,3-dihydro-1,5-benzodiazepin-2-one is sourced from PubChem (CID 139235275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).