[4-(1H-imidazol-5-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepin-1-yl]-naphthalen-1-ylmethanone

C24H22N4O — CID 11794292

IUPAC[4-(1H-imidazol-5-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepin-1-yl]-naphthalen-1-ylmethanone
SMILESO=C(c1cccc2ccccc12)N1CCN(Cc2cnc[nH]2)Cc2ccccc21
InChIInChI=1S/C24H22N4O/c29-24(22-10-5-8-18-6-1-3-9-21(18)22)28-13-12-27(16-20-14-25-17-26-20)15-19-7-2-4-11-23(19)28/h1-11,14,17H,12-13,15-16H2,(H,25,26)
InChIKeyFAHPNXGCSCVKDH-UHFFFAOYSA-N
MW382.47 g/mol
LogP4.23
Rot. Bonds3

About [4-(1H-imidazol-5-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepin-1-yl]-naphthalen-1-ylmethanone

[4-(1H-imidazol-5-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepin-1-yl]-naphthalen-1-ylmethanone (PubChem CID 11794292) has the molecular formula C24H22N4O and a molecular weight of 382.47 g/mol. Its IUPAC name is [4-(1H-imidazol-5-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepin-1-yl]-naphthalen-1-ylmethanone.

Molecular Properties

Compound Name[4-(1H-imidazol-5-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepin-1-yl]-naphthalen-1-ylmethanone
PubChem CID11794292
Molecular FormulaC24H22N4O
Molecular Weight382.47 g/mol
Exact Mass382.18
IUPAC Name[4-(1H-imidazol-5-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepin-1-yl]-naphthalen-1-ylmethanone
SMILESO=C(c1cccc2ccccc12)N1CCN(Cc2cnc[nH]2)Cc2ccccc21
InChIInChI=1S/C24H22N4O/c29-24(22-10-5-8-18-6-1-3-9-21(18)22)28-13-12-27(16-20-14-25-17-26-20)15-19-7-2-4-11-23(19)28/h1-11,14,17H,12-13,15-16H2,(H,25,26)
InChIKeyFAHPNXGCSCVKDH-UHFFFAOYSA-N
XLogP4.23
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-(1H-imidazol-5-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepin-1-yl]-naphthalen-1-ylmethanone 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 [4-(1H-imidazol-5-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepin-1-yl]-naphthalen-1-ylmethanone?
The IUPAC name of [4-(1H-imidazol-5-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepin-1-yl]-naphthalen-1-ylmethanone (CID 11794292) is [4-(1H-imidazol-5-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepin-1-yl]-naphthalen-1-ylmethanone.
What is the SMILES notation for [4-(1H-imidazol-5-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepin-1-yl]-naphthalen-1-ylmethanone?
The canonical SMILES for [4-(1H-imidazol-5-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepin-1-yl]-naphthalen-1-ylmethanone is O=C(c1cccc2ccccc12)N1CCN(Cc2cnc[nH]2)Cc2ccccc21.
What is the InChIKey of [4-(1H-imidazol-5-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepin-1-yl]-naphthalen-1-ylmethanone?
The InChIKey is FAHPNXGCSCVKDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O/c29-24(22-10-5-8-18-6-1-3-9-21(18)22)28-13-12-27(16-20-14-25-17-26-20)15-19-7-2-4-11-23(19)28/h1-11,14,17H,12-13,15-16H2,(H,25,26).
What are the key properties of [4-(1H-imidazol-5-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepin-1-yl]-naphthalen-1-ylmethanone?
[4-(1H-imidazol-5-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepin-1-yl]-naphthalen-1-ylmethanone has a molecular weight of 382.47 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1H-imidazol-5-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepin-1-yl]-naphthalen-1-ylmethanone is sourced from PubChem (CID 11794292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).