1-[(3R)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]-3-[1-(2H-tetrazol-5-yl)-2,3-dihydroindol-6-yl]urea

C26H23N9O2 — CID 10323431

IUPAC1-[(3R)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]-3-[1-(2H-tetrazol-5-yl)-2,3-dihydroindol-6-yl]urea
SMILESCN1C(=O)[C@H](NC(=O)Nc2ccc3c(c2)N(c2nn[nH]n2)CC3)N=C(c2ccccc2)c2ccccc21
InChIInChI=1S/C26H23N9O2/c1-34-20-10-6-5-9-19(20)22(17-7-3-2-4-8-17)28-23(24(34)36)29-26(37)27-18-12-11-16-13-14-35(21(16)15-18)25-30-32-33-31-25/h2-12,15,23H,13-14H2,1H3,(H2,27,29,37)(H,30,31,32,33)/t23-/m0/s1
InChIKeyXTXBUODVIMEKHF-QHCPKHFHSA-N
MW493.53 g/mol
LogP2.86
Rot. Bonds4

About 1-[(3R)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]-3-[1-(2H-tetrazol-5-yl)-2,3-dihydroindol-6-yl]urea

1-[(3R)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]-3-[1-(2H-tetrazol-5-yl)-2,3-dihydroindol-6-yl]urea (PubChem CID 10323431) has the molecular formula C26H23N9O2 and a molecular weight of 493.53 g/mol. Its IUPAC name is 1-[(3R)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]-3-[1-(2H-tetrazol-5-yl)-2,3-dihydroindol-6-yl]urea.

Molecular Properties

Compound Name1-[(3R)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]-3-[1-(2H-tetrazol-5-yl)-2,3-dihydroindol-6-yl]urea
PubChem CID10323431
Molecular FormulaC26H23N9O2
Molecular Weight493.53 g/mol
Exact Mass493.20
IUPAC Name1-[(3R)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]-3-[1-(2H-tetrazol-5-yl)-2,3-dihydroindol-6-yl]urea
SMILESCN1C(=O)[C@H](NC(=O)Nc2ccc3c(c2)N(c2nn[nH]n2)CC3)N=C(c2ccccc2)c2ccccc21
InChIInChI=1S/C26H23N9O2/c1-34-20-10-6-5-9-19(20)22(17-7-3-2-4-8-17)28-23(24(34)36)29-26(37)27-18-12-11-16-13-14-35(21(16)15-18)25-30-32-33-31-25/h2-12,15,23H,13-14H2,1H3,(H2,27,29,37)(H,30,31,32,33)/t23-/m0/s1
InChIKeyXTXBUODVIMEKHF-QHCPKHFHSA-N
XLogP2.86
TPSA131.50 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.53
LogP ≤ 52.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 1-[(3R)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]-3-[1-(2H-tetrazol-5-yl)-2,3-dihydroindol-6-yl]urea with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]-3-[1-(2H-tetrazol-5-yl)-2,3-dihydroindol-6-yl]urea?
The IUPAC name of 1-[(3R)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]-3-[1-(2H-tetrazol-5-yl)-2,3-dihydroindol-6-yl]urea (CID 10323431) is 1-[(3R)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]-3-[1-(2H-tetrazol-5-yl)-2,3-dihydroindol-6-yl]urea.
What is the SMILES notation for 1-[(3R)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]-3-[1-(2H-tetrazol-5-yl)-2,3-dihydroindol-6-yl]urea?
The canonical SMILES for 1-[(3R)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]-3-[1-(2H-tetrazol-5-yl)-2,3-dihydroindol-6-yl]urea is CN1C(=O)[C@H](NC(=O)Nc2ccc3c(c2)N(c2nn[nH]n2)CC3)N=C(c2ccccc2)c2ccccc21.
What is the InChIKey of 1-[(3R)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]-3-[1-(2H-tetrazol-5-yl)-2,3-dihydroindol-6-yl]urea?
The InChIKey is XTXBUODVIMEKHF-QHCPKHFHSA-N. The full InChI is InChI=1S/C26H23N9O2/c1-34-20-10-6-5-9-19(20)22(17-7-3-2-4-8-17)28-23(24(34)36)29-26(37)27-18-12-11-16-13-14-35(21(16)15-18)25-30-32-33-31-25/h2-12,15,23H,13-14H2,1H3,(H2,27,29,37)(H,30,31,32,33)/t23-/m0/s1.
What are the key properties of 1-[(3R)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]-3-[1-(2H-tetrazol-5-yl)-2,3-dihydroindol-6-yl]urea?
1-[(3R)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]-3-[1-(2H-tetrazol-5-yl)-2,3-dihydroindol-6-yl]urea has a molecular weight of 493.53 g/mol, XLogP of 2.86, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]-3-[1-(2H-tetrazol-5-yl)-2,3-dihydroindol-6-yl]urea is sourced from PubChem (CID 10323431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).