5-(7-chloro-1-benzofuran-2-yl)-1-methyl-1,4-diazepane

C14H17ClN2O — CID 82667053

IUPAC5-(7-chloro-1-benzofuran-2-yl)-1-methyl-1,4-diazepane
SMILESCN1CCNC(c2cc3cccc(Cl)c3o2)CC1
InChIInChI=1S/C14H17ClN2O/c1-17-7-5-12(16-6-8-17)13-9-10-3-2-4-11(15)14(10)18-13/h2-4,9,12,16H,5-8H2,1H3
InChIKeyNIPMZKFFHBSWMV-UHFFFAOYSA-N
MW264.76 g/mol
LogP3.05
Rot. Bonds1

About 5-(7-chloro-1-benzofuran-2-yl)-1-methyl-1,4-diazepane

5-(7-chloro-1-benzofuran-2-yl)-1-methyl-1,4-diazepane (PubChem CID 82667053) has the molecular formula C14H17ClN2O and a molecular weight of 264.76 g/mol. Its IUPAC name is 5-(7-chloro-1-benzofuran-2-yl)-1-methyl-1,4-diazepane.

Molecular Properties

Compound Name5-(7-chloro-1-benzofuran-2-yl)-1-methyl-1,4-diazepane
PubChem CID82667053
Molecular FormulaC14H17ClN2O
Molecular Weight264.76 g/mol
Exact Mass264.10
IUPAC Name5-(7-chloro-1-benzofuran-2-yl)-1-methyl-1,4-diazepane
SMILESCN1CCNC(c2cc3cccc(Cl)c3o2)CC1
InChIInChI=1S/C14H17ClN2O/c1-17-7-5-12(16-6-8-17)13-9-10-3-2-4-11(15)14(10)18-13/h2-4,9,12,16H,5-8H2,1H3
InChIKeyNIPMZKFFHBSWMV-UHFFFAOYSA-N
XLogP3.05
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.76
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(7-chloro-1-benzofuran-2-yl)-1-methyl-1,4-diazepane 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

2-(7-chloro-1-benzofuran-2-yl)-4-ethylpiperidine
CID 114733072
5-(3-chlorophenyl)-1-methyl-1,4-diazepane
CID 82287491
1-methyl-5-(4-methylphenyl)-1,4-diazepane
CID 82282903
2-(2-bromocycloheptyl)-7-chloro-1-benzofuran
CID 114732835
5-(4-tert-butylphenyl)-1-methyl-1,4-diazepane
CID 82295508
5-(2-methoxyphenyl)-1-methyl-1,4-diazepane
CID 82286361
6-(7-chloro-1-benzofuran-2-yl)-2-cyclopropyl-N-methylpyrimidin-4-amine
CID 114735030
1-[(7-chloro-1-benzofuran-2-yl)methyl]piperazine
CID 115004527
3-(2-chloro-6-fluorophenyl)-1-methylpiperazine
CID 82288330
4-(7-chloro-1-benzofuran-2-yl)-2-cyclopropyl-5-methyl-1H-pyrimidin-6-one
CID 136770228
(7-chloro-1-benzofuran-2-yl)-(1,4-dimethylpiperazin-2-yl)methanol
CID 114726954
2-(7-chloro-1-benzofuran-2-yl)-N-ethylcycloheptan-1-amine
CID 114732942

Frequently Asked Questions

What is the IUPAC name of 5-(7-chloro-1-benzofuran-2-yl)-1-methyl-1,4-diazepane?
The IUPAC name of 5-(7-chloro-1-benzofuran-2-yl)-1-methyl-1,4-diazepane (CID 82667053) is 5-(7-chloro-1-benzofuran-2-yl)-1-methyl-1,4-diazepane.
What is the SMILES notation for 5-(7-chloro-1-benzofuran-2-yl)-1-methyl-1,4-diazepane?
The canonical SMILES for 5-(7-chloro-1-benzofuran-2-yl)-1-methyl-1,4-diazepane is CN1CCNC(c2cc3cccc(Cl)c3o2)CC1.
What is the InChIKey of 5-(7-chloro-1-benzofuran-2-yl)-1-methyl-1,4-diazepane?
The InChIKey is NIPMZKFFHBSWMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O/c1-17-7-5-12(16-6-8-17)13-9-10-3-2-4-11(15)14(10)18-13/h2-4,9,12,16H,5-8H2,1H3.
What are the key properties of 5-(7-chloro-1-benzofuran-2-yl)-1-methyl-1,4-diazepane?
5-(7-chloro-1-benzofuran-2-yl)-1-methyl-1,4-diazepane has a molecular weight of 264.76 g/mol, XLogP of 3.05, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(7-chloro-1-benzofuran-2-yl)-1-methyl-1,4-diazepane is sourced from PubChem (CID 82667053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).