N,N-dimethyl-1-[8-[(5-methylthiophen-2-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methanamine

C16H24N4S — CID 118746799

IUPACN,N-dimethyl-1-[8-[(5-methylthiophen-2-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methanamine
SMILESCc1ccc(CN2Cc3nccn3CC(CN(C)C)C2)s1
InChIInChI=1S/C16H24N4S/c1-13-4-5-15(21-13)11-19-9-14(8-18(2)3)10-20-7-6-17-16(20)12-19/h4-7,14H,8-12H2,1-3H3
InChIKeyRYRYPLFPCIKFSF-UHFFFAOYSA-N
MW304.46 g/mol
LogP2.45
Rot. Bonds4

About N,N-dimethyl-1-[8-[(5-methylthiophen-2-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methanamine

N,N-dimethyl-1-[8-[(5-methylthiophen-2-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methanamine (PubChem CID 118746799) has the molecular formula C16H24N4S and a molecular weight of 304.46 g/mol. Its IUPAC name is N,N-dimethyl-1-[8-[(5-methylthiophen-2-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[8-[(5-methylthiophen-2-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methanamine
PubChem CID118746799
Molecular FormulaC16H24N4S
Molecular Weight304.46 g/mol
Exact Mass304.17
IUPAC NameN,N-dimethyl-1-[8-[(5-methylthiophen-2-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methanamine
SMILESCc1ccc(CN2Cc3nccn3CC(CN(C)C)C2)s1
InChIInChI=1S/C16H24N4S/c1-13-4-5-15(21-13)11-19-9-14(8-18(2)3)10-20-7-6-17-16(20)12-19/h4-7,14H,8-12H2,1-3H3
InChIKeyRYRYPLFPCIKFSF-UHFFFAOYSA-N
XLogP2.45
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N,N-dimethyl-1-[8-[(5-methylthiophen-2-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methanamine 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 N,N-dimethyl-1-[8-[(5-methylthiophen-2-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methanamine?
The IUPAC name of N,N-dimethyl-1-[8-[(5-methylthiophen-2-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methanamine (CID 118746799) is N,N-dimethyl-1-[8-[(5-methylthiophen-2-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methanamine.
What is the SMILES notation for N,N-dimethyl-1-[8-[(5-methylthiophen-2-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methanamine?
The canonical SMILES for N,N-dimethyl-1-[8-[(5-methylthiophen-2-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methanamine is Cc1ccc(CN2Cc3nccn3CC(CN(C)C)C2)s1.
What is the InChIKey of N,N-dimethyl-1-[8-[(5-methylthiophen-2-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methanamine?
The InChIKey is RYRYPLFPCIKFSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4S/c1-13-4-5-15(21-13)11-19-9-14(8-18(2)3)10-20-7-6-17-16(20)12-19/h4-7,14H,8-12H2,1-3H3.
What are the key properties of N,N-dimethyl-1-[8-[(5-methylthiophen-2-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methanamine?
N,N-dimethyl-1-[8-[(5-methylthiophen-2-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methanamine has a molecular weight of 304.46 g/mol, XLogP of 2.45, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[8-[(5-methylthiophen-2-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methanamine is sourced from PubChem (CID 118746799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).