1-[6-(2-chlorophenyl)-2-ethyl-4H-imidazo[1,2-a][1,4]benzodiazepin-1-yl]-N,N-dimethylmethanamine

C22H23ClN4 — CID 21487186

IUPAC1-[6-(2-chlorophenyl)-2-ethyl-4H-imidazo[1,2-a][1,4]benzodiazepin-1-yl]-N,N-dimethylmethanamine
SMILESCCc1nc2n(c1CN(C)C)-c1ccccc1C(c1ccccc1Cl)=NC2
InChIInChI=1S/C22H23ClN4/c1-4-18-20(14-26(2)3)27-19-12-8-6-10-16(19)22(24-13-21(27)25-18)15-9-5-7-11-17(15)23/h5-12H,4,13-14H2,1-3H3
InChIKeyCGWCUGIXAUZGTB-UHFFFAOYSA-N
MW378.91 g/mol
LogP4.50
Rot. Bonds4

About 1-[6-(2-chlorophenyl)-2-ethyl-4H-imidazo[1,2-a][1,4]benzodiazepin-1-yl]-N,N-dimethylmethanamine

1-[6-(2-chlorophenyl)-2-ethyl-4H-imidazo[1,2-a][1,4]benzodiazepin-1-yl]-N,N-dimethylmethanamine (PubChem CID 21487186) has the molecular formula C22H23ClN4 and a molecular weight of 378.91 g/mol. Its IUPAC name is 1-[6-(2-chlorophenyl)-2-ethyl-4H-imidazo[1,2-a][1,4]benzodiazepin-1-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[6-(2-chlorophenyl)-2-ethyl-4H-imidazo[1,2-a][1,4]benzodiazepin-1-yl]-N,N-dimethylmethanamine
PubChem CID21487186
Molecular FormulaC22H23ClN4
Molecular Weight378.91 g/mol
Exact Mass378.16
IUPAC Name1-[6-(2-chlorophenyl)-2-ethyl-4H-imidazo[1,2-a][1,4]benzodiazepin-1-yl]-N,N-dimethylmethanamine
SMILESCCc1nc2n(c1CN(C)C)-c1ccccc1C(c1ccccc1Cl)=NC2
InChIInChI=1S/C22H23ClN4/c1-4-18-20(14-26(2)3)27-19-12-8-6-10-16(19)22(24-13-21(27)25-18)15-9-5-7-11-17(15)23/h5-12H,4,13-14H2,1-3H3
InChIKeyCGWCUGIXAUZGTB-UHFFFAOYSA-N
XLogP4.50
TPSA33.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.91
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(2-chlorophenyl)-2-ethyl-4H-imidazo[1,2-a][1,4]benzodiazepin-1-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[6-(2-chlorophenyl)-2-ethyl-4H-imidazo[1,2-a][1,4]benzodiazepin-1-yl]-N,N-dimethylmethanamine (CID 21487186) is 1-[6-(2-chlorophenyl)-2-ethyl-4H-imidazo[1,2-a][1,4]benzodiazepin-1-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[6-(2-chlorophenyl)-2-ethyl-4H-imidazo[1,2-a][1,4]benzodiazepin-1-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[6-(2-chlorophenyl)-2-ethyl-4H-imidazo[1,2-a][1,4]benzodiazepin-1-yl]-N,N-dimethylmethanamine is CCc1nc2n(c1CN(C)C)-c1ccccc1C(c1ccccc1Cl)=NC2.
What is the InChIKey of 1-[6-(2-chlorophenyl)-2-ethyl-4H-imidazo[1,2-a][1,4]benzodiazepin-1-yl]-N,N-dimethylmethanamine?
The InChIKey is CGWCUGIXAUZGTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4/c1-4-18-20(14-26(2)3)27-19-12-8-6-10-16(19)22(24-13-21(27)25-18)15-9-5-7-11-17(15)23/h5-12H,4,13-14H2,1-3H3.
What are the key properties of 1-[6-(2-chlorophenyl)-2-ethyl-4H-imidazo[1,2-a][1,4]benzodiazepin-1-yl]-N,N-dimethylmethanamine?
1-[6-(2-chlorophenyl)-2-ethyl-4H-imidazo[1,2-a][1,4]benzodiazepin-1-yl]-N,N-dimethylmethanamine has a molecular weight of 378.91 g/mol, XLogP of 4.50, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2-chlorophenyl)-2-ethyl-4H-imidazo[1,2-a][1,4]benzodiazepin-1-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 21487186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).