2-(4,5-dihydroimidazol-1-yl)-1H-1,4-benzodiazepine

C12H12N4 — CID 174305170

IUPAC2-(4,5-dihydroimidazol-1-yl)-1H-1,4-benzodiazepine
SMILESC1=NC=C(N2C=NCC2)Nc2ccccc21
InChIInChI=1S/C12H12N4/c1-2-4-11-10(3-1)7-14-8-12(15-11)16-6-5-13-9-16/h1-4,7-9,15H,5-6H2
InChIKeyFJVCFXWRNGNDOK-UHFFFAOYSA-N
MW212.26 g/mol
LogP1.67
Rot. Bonds1

About 2-(4,5-dihydroimidazol-1-yl)-1H-1,4-benzodiazepine

2-(4,5-dihydroimidazol-1-yl)-1H-1,4-benzodiazepine (PubChem CID 174305170) has the molecular formula C12H12N4 and a molecular weight of 212.26 g/mol. Its IUPAC name is 2-(4,5-dihydroimidazol-1-yl)-1H-1,4-benzodiazepine.

Molecular Properties

Compound Name2-(4,5-dihydroimidazol-1-yl)-1H-1,4-benzodiazepine
PubChem CID174305170
Molecular FormulaC12H12N4
Molecular Weight212.26 g/mol
Exact Mass212.11
IUPAC Name2-(4,5-dihydroimidazol-1-yl)-1H-1,4-benzodiazepine
SMILESC1=NC=C(N2C=NCC2)Nc2ccccc21
InChIInChI=1S/C12H12N4/c1-2-4-11-10(3-1)7-14-8-12(15-11)16-6-5-13-9-16/h1-4,7-9,15H,5-6H2
InChIKeyFJVCFXWRNGNDOK-UHFFFAOYSA-N
XLogP1.67
TPSA39.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.26
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(4,5-dihydroimidazol-1-yl)phenyl]cyclopentan-1-amine
CID 117331093
1H-1,4-benzodiazepin-2-yl phosphono hydrogen phosphate
CID 174420388
4-(1H-1,4-benzodiazepin-2-yl)cyclohexane-1,3-dione
CID 174698134
2-(1H-1,4-benzodiazepin-2-yl)-2-phenylacetaldehyde
CID 175050447
(Z)-2-(1H-1,4-benzodiazepin-2-yl)but-2-enedioic acid;hydrate
CID 174420386
1H-1,4-benzodiazepine;trihydrochloride
CID 172746749
1H-1,4-benzodiazepine;hydrochloride
CID 23317235
CID 174611758
CID 174611758
2-[2-(4,5-dihydroimidazol-1-yl)phenyl]pyrimidine
CID 67717157
1H-1,4-benzodiazepine;phosphoric acid
CID 174831998
4,5-dihydroimidazol-1-yl(diphenyl)phosphane
CID 91105862
2-[3-(4,5-dihydroimidazol-1-yl)phenyl]propan-2-amine
CID 117291997

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dihydroimidazol-1-yl)-1H-1,4-benzodiazepine?
The IUPAC name of 2-(4,5-dihydroimidazol-1-yl)-1H-1,4-benzodiazepine (CID 174305170) is 2-(4,5-dihydroimidazol-1-yl)-1H-1,4-benzodiazepine.
What is the SMILES notation for 2-(4,5-dihydroimidazol-1-yl)-1H-1,4-benzodiazepine?
The canonical SMILES for 2-(4,5-dihydroimidazol-1-yl)-1H-1,4-benzodiazepine is C1=NC=C(N2C=NCC2)Nc2ccccc21.
What is the InChIKey of 2-(4,5-dihydroimidazol-1-yl)-1H-1,4-benzodiazepine?
The InChIKey is FJVCFXWRNGNDOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4/c1-2-4-11-10(3-1)7-14-8-12(15-11)16-6-5-13-9-16/h1-4,7-9,15H,5-6H2.
What are the key properties of 2-(4,5-dihydroimidazol-1-yl)-1H-1,4-benzodiazepine?
2-(4,5-dihydroimidazol-1-yl)-1H-1,4-benzodiazepine has a molecular weight of 212.26 g/mol, XLogP of 1.67, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dihydroimidazol-1-yl)-1H-1,4-benzodiazepine is sourced from PubChem (CID 174305170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).