N-(2-oxo-5-phenyl-3,4-dihydro-1H-1,5-benzodiazepin-3-yl)imidazole-1-carboxamide

C19H17N5O2 — CID 137355840

IUPACN-(2-oxo-5-phenyl-3,4-dihydro-1H-1,5-benzodiazepin-3-yl)imidazole-1-carboxamide
SMILESO=C1Nc2ccccc2N(c2ccccc2)CC1NC(=O)n1ccnc1
InChIInChI=1S/C19H17N5O2/c25-18-16(22-19(26)23-11-10-20-13-23)12-24(14-6-2-1-3-7-14)17-9-5-4-8-15(17)21-18/h1-11,13,16H,12H2,(H,21,25)(H,22,26)
InChIKeyBWMHQTLLMCSTFJ-UHFFFAOYSA-N
MW347.38 g/mol
LogP2.60
Rot. Bonds2

About N-(2-oxo-5-phenyl-3,4-dihydro-1H-1,5-benzodiazepin-3-yl)imidazole-1-carboxamide

N-(2-oxo-5-phenyl-3,4-dihydro-1H-1,5-benzodiazepin-3-yl)imidazole-1-carboxamide (PubChem CID 137355840) has the molecular formula C19H17N5O2 and a molecular weight of 347.38 g/mol. Its IUPAC name is N-(2-oxo-5-phenyl-3,4-dihydro-1H-1,5-benzodiazepin-3-yl)imidazole-1-carboxamide.

Molecular Properties

Compound NameN-(2-oxo-5-phenyl-3,4-dihydro-1H-1,5-benzodiazepin-3-yl)imidazole-1-carboxamide
PubChem CID137355840
Molecular FormulaC19H17N5O2
Molecular Weight347.38 g/mol
Exact Mass347.14
IUPAC NameN-(2-oxo-5-phenyl-3,4-dihydro-1H-1,5-benzodiazepin-3-yl)imidazole-1-carboxamide
SMILESO=C1Nc2ccccc2N(c2ccccc2)CC1NC(=O)n1ccnc1
InChIInChI=1S/C19H17N5O2/c25-18-16(22-19(26)23-11-10-20-13-23)12-24(14-6-2-1-3-7-14)17-9-5-4-8-15(17)21-18/h1-11,13,16H,12H2,(H,21,25)(H,22,26)
InChIKeyBWMHQTLLMCSTFJ-UHFFFAOYSA-N
XLogP2.60
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-oxo-5-phenyl-3,4-dihydro-1H-1,5-benzodiazepin-3-yl)imidazole-1-carboxamide?
The IUPAC name of N-(2-oxo-5-phenyl-3,4-dihydro-1H-1,5-benzodiazepin-3-yl)imidazole-1-carboxamide (CID 137355840) is N-(2-oxo-5-phenyl-3,4-dihydro-1H-1,5-benzodiazepin-3-yl)imidazole-1-carboxamide.
What is the SMILES notation for N-(2-oxo-5-phenyl-3,4-dihydro-1H-1,5-benzodiazepin-3-yl)imidazole-1-carboxamide?
The canonical SMILES for N-(2-oxo-5-phenyl-3,4-dihydro-1H-1,5-benzodiazepin-3-yl)imidazole-1-carboxamide is O=C1Nc2ccccc2N(c2ccccc2)CC1NC(=O)n1ccnc1.
What is the InChIKey of N-(2-oxo-5-phenyl-3,4-dihydro-1H-1,5-benzodiazepin-3-yl)imidazole-1-carboxamide?
The InChIKey is BWMHQTLLMCSTFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O2/c25-18-16(22-19(26)23-11-10-20-13-23)12-24(14-6-2-1-3-7-14)17-9-5-4-8-15(17)21-18/h1-11,13,16H,12H2,(H,21,25)(H,22,26).
What are the key properties of N-(2-oxo-5-phenyl-3,4-dihydro-1H-1,5-benzodiazepin-3-yl)imidazole-1-carboxamide?
N-(2-oxo-5-phenyl-3,4-dihydro-1H-1,5-benzodiazepin-3-yl)imidazole-1-carboxamide has a molecular weight of 347.38 g/mol, XLogP of 2.60, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxo-5-phenyl-3,4-dihydro-1H-1,5-benzodiazepin-3-yl)imidazole-1-carboxamide is sourced from PubChem (CID 137355840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).