4-(10H-imidazo[2,1-c][1,4]benzodiazepin-4-yl)aniline

C17H14N4 — CID 11780737

IUPAC4-(10H-imidazo[2,1-c][1,4]benzodiazepin-4-yl)aniline
SMILESNc1ccc(C2=Nc3ccccc3Cn3ccnc32)cc1
InChIInChI=1S/C17H14N4/c18-14-7-5-12(6-8-14)16-17-19-9-10-21(17)11-13-3-1-2-4-15(13)20-16/h1-10H,11,18H2
InChIKeyDYZOUQAQCAHARL-UHFFFAOYSA-N
MW274.33 g/mol
LogP3.00
Rot. Bonds1

About 4-(10H-imidazo[2,1-c][1,4]benzodiazepin-4-yl)aniline

4-(10H-imidazo[2,1-c][1,4]benzodiazepin-4-yl)aniline (PubChem CID 11780737) has the molecular formula C17H14N4 and a molecular weight of 274.33 g/mol. Its IUPAC name is 4-(10H-imidazo[2,1-c][1,4]benzodiazepin-4-yl)aniline.

Molecular Properties

Compound Name4-(10H-imidazo[2,1-c][1,4]benzodiazepin-4-yl)aniline
PubChem CID11780737
Molecular FormulaC17H14N4
Molecular Weight274.33 g/mol
Exact Mass274.12
IUPAC Name4-(10H-imidazo[2,1-c][1,4]benzodiazepin-4-yl)aniline
SMILESNc1ccc(C2=Nc3ccccc3Cn3ccnc32)cc1
InChIInChI=1S/C17H14N4/c18-14-7-5-12(6-8-14)16-17-19-9-10-21(17)11-13-3-1-2-4-15(13)20-16/h1-10H,11,18H2
InChIKeyDYZOUQAQCAHARL-UHFFFAOYSA-N
XLogP3.00
TPSA56.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(10H-imidazo[2,1-c][1,4]benzodiazepin-4-yl)aniline?
The IUPAC name of 4-(10H-imidazo[2,1-c][1,4]benzodiazepin-4-yl)aniline (CID 11780737) is 4-(10H-imidazo[2,1-c][1,4]benzodiazepin-4-yl)aniline.
What is the SMILES notation for 4-(10H-imidazo[2,1-c][1,4]benzodiazepin-4-yl)aniline?
The canonical SMILES for 4-(10H-imidazo[2,1-c][1,4]benzodiazepin-4-yl)aniline is Nc1ccc(C2=Nc3ccccc3Cn3ccnc32)cc1.
What is the InChIKey of 4-(10H-imidazo[2,1-c][1,4]benzodiazepin-4-yl)aniline?
The InChIKey is DYZOUQAQCAHARL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4/c18-14-7-5-12(6-8-14)16-17-19-9-10-21(17)11-13-3-1-2-4-15(13)20-16/h1-10H,11,18H2.
What are the key properties of 4-(10H-imidazo[2,1-c][1,4]benzodiazepin-4-yl)aniline?
4-(10H-imidazo[2,1-c][1,4]benzodiazepin-4-yl)aniline has a molecular weight of 274.33 g/mol, XLogP of 3.00, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(10H-imidazo[2,1-c][1,4]benzodiazepin-4-yl)aniline is sourced from PubChem (CID 11780737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).