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

C25H25N5O — CID 10811576

IUPAC[1-[[2-(aminomethyl)-1H-imidazol-5-yl]methyl]-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]-naphthalen-1-ylmethanone
SMILESNCc1ncc(CN2CCN(C(=O)c3cccc4ccccc34)Cc3ccccc32)[nH]1
InChIInChI=1S/C25H25N5O/c26-14-24-27-15-20(28-24)17-29-12-13-30(16-19-7-2-4-11-23(19)29)25(31)22-10-5-8-18-6-1-3-9-21(18)22/h1-11,15H,12-14,16-17,26H2,(H,27,28)
InChIKeyYQLBBXJKCBUELQ-UHFFFAOYSA-N
MW411.51 g/mol
LogP3.68
Rot. Bonds4

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

[1-[[2-(aminomethyl)-1H-imidazol-5-yl]methyl]-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]-naphthalen-1-ylmethanone (PubChem CID 10811576) has the molecular formula C25H25N5O and a molecular weight of 411.51 g/mol. Its IUPAC name is [1-[[2-(aminomethyl)-1H-imidazol-5-yl]methyl]-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]-naphthalen-1-ylmethanone.

Molecular Properties

Compound Name[1-[[2-(aminomethyl)-1H-imidazol-5-yl]methyl]-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]-naphthalen-1-ylmethanone
PubChem CID10811576
Molecular FormulaC25H25N5O
Molecular Weight411.51 g/mol
Exact Mass411.21
IUPAC Name[1-[[2-(aminomethyl)-1H-imidazol-5-yl]methyl]-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]-naphthalen-1-ylmethanone
SMILESNCc1ncc(CN2CCN(C(=O)c3cccc4ccccc34)Cc3ccccc32)[nH]1
InChIInChI=1S/C25H25N5O/c26-14-24-27-15-20(28-24)17-29-12-13-30(16-19-7-2-4-11-23(19)29)25(31)22-10-5-8-18-6-1-3-9-21(18)22/h1-11,15H,12-14,16-17,26H2,(H,27,28)
InChIKeyYQLBBXJKCBUELQ-UHFFFAOYSA-N
XLogP3.68
TPSA78.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.51
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [1-[[2-(aminomethyl)-1H-imidazol-5-yl]methyl]-3,5-dihydro-2H-1,4-benzodiazepin-4-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

Related Compounds

Conivaptan
CID 151171
Conivaptan Hydrochloride
CID 216322
GGTI-2133 free base
CID 9846868
Ggti 2147
CID 9890888
4-((S)-2-amino-3-oxo-3-((S)-3-(4-phenyl-1H-imidazol-2-yl)-3,4-dihydroisoquinolin-2(1H)-yl)propyl)-3,5-dimethylbenzamide
CID 10255149
4-((S)-2-amino-3-oxo-3-((S)-2-(4-phenyl-1H-imidazol-2-yl)piperidin-1-yl)propyl)-3,5-dimethylbenzamide
CID 10343492
(S)-1-methyl-N-(1-(5-(naphthalen-2-yl)-1H-imidazol-2-yl)-7-oxooctyl)piperidine-4-carboxamide
CID 16049824
N-[2-(1H-imidazol-5-yl)ethyl]-4-phenylbenzamide
CID 7694012
2-[2-(1-Methyl-4-phenyl-1H-imidazol-2-yl)ethyl]-4(3h)-quinazolinone
CID 136147462
4-[(2S)-2-amino-3-[benzyl-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]amino]-3-oxopropyl]-3,5-dimethylbenzamide
CID 71449607
3-[6-amino-5-(1H-benzimidazol-2-yl)-3-pyridinyl]-N,N-dimethylbenzamide
CID 127046319
[1-(1H-Imidazol-4-ylmethyl)-1,2,3,5-tetrahydro-benzo[e][1,4]diazepin-4-yl]-naphthalen-1-yl-methanone
CID 9844957

Frequently Asked Questions

What is the IUPAC name of [1-[[2-(aminomethyl)-1H-imidazol-5-yl]methyl]-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]-naphthalen-1-ylmethanone?
The IUPAC name of [1-[[2-(aminomethyl)-1H-imidazol-5-yl]methyl]-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]-naphthalen-1-ylmethanone (CID 10811576) is [1-[[2-(aminomethyl)-1H-imidazol-5-yl]methyl]-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]-naphthalen-1-ylmethanone.
What is the SMILES notation for [1-[[2-(aminomethyl)-1H-imidazol-5-yl]methyl]-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]-naphthalen-1-ylmethanone?
The canonical SMILES for [1-[[2-(aminomethyl)-1H-imidazol-5-yl]methyl]-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]-naphthalen-1-ylmethanone is NCc1ncc(CN2CCN(C(=O)c3cccc4ccccc34)Cc3ccccc32)[nH]1.
What is the InChIKey of [1-[[2-(aminomethyl)-1H-imidazol-5-yl]methyl]-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]-naphthalen-1-ylmethanone?
The InChIKey is YQLBBXJKCBUELQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O/c26-14-24-27-15-20(28-24)17-29-12-13-30(16-19-7-2-4-11-23(19)29)25(31)22-10-5-8-18-6-1-3-9-21(18)22/h1-11,15H,12-14,16-17,26H2,(H,27,28).
What are the key properties of [1-[[2-(aminomethyl)-1H-imidazol-5-yl]methyl]-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]-naphthalen-1-ylmethanone?
[1-[[2-(aminomethyl)-1H-imidazol-5-yl]methyl]-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]-naphthalen-1-ylmethanone has a molecular weight of 411.51 g/mol, XLogP of 3.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[2-(aminomethyl)-1H-imidazol-5-yl]methyl]-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]-naphthalen-1-ylmethanone is sourced from PubChem (CID 10811576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).