(4R)-4-[4-[(4-chlorophenyl)methyl]-1,4-diazepane-1-carbonyl]imidazolidin-2-one

C16H21ClN4O2 — CID 97078057

IUPAC(4R)-4-[4-[(4-chlorophenyl)methyl]-1,4-diazepane-1-carbonyl]imidazolidin-2-one
SMILESO=C1NC[C@H](C(=O)N2CCCN(Cc3ccc(Cl)cc3)CC2)N1
InChIInChI=1S/C16H21ClN4O2/c17-13-4-2-12(3-5-13)11-20-6-1-7-21(9-8-20)15(22)14-10-18-16(23)19-14/h2-5,14H,1,6-11H2,(H2,18,19,23)/t14-/m1/s1
InChIKeyRYEQKZKSHPXXEF-CQSZACIVSA-N
MW336.82 g/mol
LogP1.06
Rot. Bonds3

About (4R)-4-[4-[(4-chlorophenyl)methyl]-1,4-diazepane-1-carbonyl]imidazolidin-2-one

(4R)-4-[4-[(4-chlorophenyl)methyl]-1,4-diazepane-1-carbonyl]imidazolidin-2-one (PubChem CID 97078057) has the molecular formula C16H21ClN4O2 and a molecular weight of 336.82 g/mol. Its IUPAC name is (4R)-4-[4-[(4-chlorophenyl)methyl]-1,4-diazepane-1-carbonyl]imidazolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[4-[(4-chlorophenyl)methyl]-1,4-diazepane-1-carbonyl]imidazolidin-2-one
PubChem CID97078057
Molecular FormulaC16H21ClN4O2
Molecular Weight336.82 g/mol
Exact Mass336.14
IUPAC Name(4R)-4-[4-[(4-chlorophenyl)methyl]-1,4-diazepane-1-carbonyl]imidazolidin-2-one
SMILESO=C1NC[C@H](C(=O)N2CCCN(Cc3ccc(Cl)cc3)CC2)N1
InChIInChI=1S/C16H21ClN4O2/c17-13-4-2-12(3-5-13)11-20-6-1-7-21(9-8-20)15(22)14-10-18-16(23)19-14/h2-5,14H,1,6-11H2,(H2,18,19,23)/t14-/m1/s1
InChIKeyRYEQKZKSHPXXEF-CQSZACIVSA-N
XLogP1.06
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.82
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (4R)-4-[4-[(4-chlorophenyl)methyl]-1,4-diazepane-1-carbonyl]imidazolidin-2-one 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

[4-[(4-chlorophenyl)methyl]-1,4-diazepan-1-yl]-[(2S)-pyrrolidin-2-yl]methanone;dihydrochloride
CID 119838980
[4-[(4-chlorophenyl)methyl]-1,4-diazepan-1-yl]-[(2R)-piperidin-2-yl]methanone
CID 119838937
[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-(4-hydroxypyrrolidin-2-yl)methanone;dihydrochloride
CID 119831321
[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-piperidin-2-ylmethanone
CID 119838880
(4-benzyl-1,4-diazepan-1-yl)-[(2S)-pyrrolidin-2-yl]methanone
CID 119399417
1-[4-[(4-chlorophenyl)methyl]-1,4-diazepan-1-yl]-2-pyrrolidin-2-ylethanone
CID 119839004
2-amino-1-[4-[(4-chlorophenyl)methyl]-1,4-diazepan-1-yl]ethanone;dihydrochloride
CID 119838988
1-[4-[(4-chlorophenyl)methyl]-1,4-diazepan-1-yl]-2-pyrrolidin-2-ylethanone;dihydrochloride
CID 119839003
5-[4-[(4-butylphenyl)methyl]-1,4-diazepane-1-carbonyl]pyrrolidin-2-one
CID 138808036
[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone;hydrochloride
CID 163326469
[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-(oxolan-2-yl)methanone
CID 134046835
5-[4-[2-(4-chlorophenyl)acetyl]-1,4-diazepane-1-carbonyl]pyrrolidin-2-one
CID 110808313

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[4-[(4-chlorophenyl)methyl]-1,4-diazepane-1-carbonyl]imidazolidin-2-one?
The IUPAC name of (4R)-4-[4-[(4-chlorophenyl)methyl]-1,4-diazepane-1-carbonyl]imidazolidin-2-one (CID 97078057) is (4R)-4-[4-[(4-chlorophenyl)methyl]-1,4-diazepane-1-carbonyl]imidazolidin-2-one.
What is the SMILES notation for (4R)-4-[4-[(4-chlorophenyl)methyl]-1,4-diazepane-1-carbonyl]imidazolidin-2-one?
The canonical SMILES for (4R)-4-[4-[(4-chlorophenyl)methyl]-1,4-diazepane-1-carbonyl]imidazolidin-2-one is O=C1NC[C@H](C(=O)N2CCCN(Cc3ccc(Cl)cc3)CC2)N1.
What is the InChIKey of (4R)-4-[4-[(4-chlorophenyl)methyl]-1,4-diazepane-1-carbonyl]imidazolidin-2-one?
The InChIKey is RYEQKZKSHPXXEF-CQSZACIVSA-N. The full InChI is InChI=1S/C16H21ClN4O2/c17-13-4-2-12(3-5-13)11-20-6-1-7-21(9-8-20)15(22)14-10-18-16(23)19-14/h2-5,14H,1,6-11H2,(H2,18,19,23)/t14-/m1/s1.
What are the key properties of (4R)-4-[4-[(4-chlorophenyl)methyl]-1,4-diazepane-1-carbonyl]imidazolidin-2-one?
(4R)-4-[4-[(4-chlorophenyl)methyl]-1,4-diazepane-1-carbonyl]imidazolidin-2-one has a molecular weight of 336.82 g/mol, XLogP of 1.06, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[4-[(4-chlorophenyl)methyl]-1,4-diazepane-1-carbonyl]imidazolidin-2-one is sourced from PubChem (CID 97078057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).