2-[(4-chlorophenyl)methyl]-7a-methyl-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazol-3-one

C14H17ClN2O — CID 44600034

IUPAC2-[(4-chlorophenyl)methyl]-7a-methyl-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazol-3-one
SMILESCC12CCCN1C(=O)N(Cc1ccc(Cl)cc1)C2
InChIInChI=1S/C14H17ClN2O/c1-14-7-2-8-17(14)13(18)16(10-14)9-11-3-5-12(15)6-4-11/h3-6H,2,7-10H2,1H3
InChIKeyBITZPQUULMRIJI-UHFFFAOYSA-N
MW264.76 g/mol
LogP3.13
Rot. Bonds2

About 2-[(4-chlorophenyl)methyl]-7a-methyl-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazol-3-one

2-[(4-chlorophenyl)methyl]-7a-methyl-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazol-3-one (PubChem CID 44600034) has the molecular formula C14H17ClN2O and a molecular weight of 264.76 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methyl]-7a-methyl-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazol-3-one.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methyl]-7a-methyl-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazol-3-one
PubChem CID44600034
Molecular FormulaC14H17ClN2O
Molecular Weight264.76 g/mol
Exact Mass264.10
IUPAC Name2-[(4-chlorophenyl)methyl]-7a-methyl-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazol-3-one
SMILESCC12CCCN1C(=O)N(Cc1ccc(Cl)cc1)C2
InChIInChI=1S/C14H17ClN2O/c1-14-7-2-8-17(14)13(18)16(10-14)9-11-3-5-12(15)6-4-11/h3-6H,2,7-10H2,1H3
InChIKeyBITZPQUULMRIJI-UHFFFAOYSA-N
XLogP3.13
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.76
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-Imidazolidinone, 1-((4-chlorophenyl)methyl)-
CID 5076481
(S)-N-(4-chlorobenzyl)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide
CID 44418512
1-[(4-Chlorophenyl)methyl]-3-[2-(1,3-dihydroisoindol-2-yl)ethyl]imidazolidin-2-one
CID 45267262
Imidazolidine, 2-(p-chlorophenyl)-1,3-dimethyl-
CID 31827
5-(4-Chlorophenyl)-1-methyl-4,5-dihydro-1H-imidazol-2-ol
CID 60459
1-((4-Chlorophenyl)methyl)-5,5-dimethylimidazolidin-2-one
CID 66545139
1-[1-[(4-Chlorophenyl)methyl]piperidin-4-yl]-3-methylimidazolidin-2-one
CID 72142254
4-[(4-Chlorophenyl)methyl]-2-ethyl-1,2,4-thiadiazolidin-5-one
CID 178307653
1-[(3-Chlorophenyl)methyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)imidazolidin-2-one
CID 4204376
2-(4-chlorophenyl)-N-isopropyl-1-pyrrolidinecarboxamide
CID 45924678
2-(4-chlorophenyl)-N-propylpyrrolidine-1-carboxamide
CID 45924731
2-(4-chlorophenyl)-N-(2-methylpropyl)pyrrolidine-1-carboxamide
CID 47238401

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methyl]-7a-methyl-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazol-3-one?
The IUPAC name of 2-[(4-chlorophenyl)methyl]-7a-methyl-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazol-3-one (CID 44600034) is 2-[(4-chlorophenyl)methyl]-7a-methyl-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazol-3-one.
What is the SMILES notation for 2-[(4-chlorophenyl)methyl]-7a-methyl-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazol-3-one?
The canonical SMILES for 2-[(4-chlorophenyl)methyl]-7a-methyl-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazol-3-one is CC12CCCN1C(=O)N(Cc1ccc(Cl)cc1)C2.
What is the InChIKey of 2-[(4-chlorophenyl)methyl]-7a-methyl-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazol-3-one?
The InChIKey is BITZPQUULMRIJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O/c1-14-7-2-8-17(14)13(18)16(10-14)9-11-3-5-12(15)6-4-11/h3-6H,2,7-10H2,1H3.
What are the key properties of 2-[(4-chlorophenyl)methyl]-7a-methyl-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazol-3-one?
2-[(4-chlorophenyl)methyl]-7a-methyl-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazol-3-one has a molecular weight of 264.76 g/mol, XLogP of 3.13, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methyl]-7a-methyl-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazol-3-one is sourced from PubChem (CID 44600034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).