[2-(4,5-dihydro-1H-imidazol-2-ylmethylamino)-6-methylphenyl]-pyrrolidin-1-ylmethanone

C16H22N4O — CID 22493423

IUPAC[2-(4,5-dihydro-1H-imidazol-2-ylmethylamino)-6-methylphenyl]-pyrrolidin-1-ylmethanone
SMILESCc1cccc(NCC2=NCCN2)c1C(=O)N1CCCC1
InChIInChI=1S/C16H22N4O/c1-12-5-4-6-13(19-11-14-17-7-8-18-14)15(12)16(21)20-9-2-3-10-20/h4-6,19H,2-3,7-11H2,1H3,(H,17,18)
InChIKeyFBASVUZOCQKNCS-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.64
Rot. Bonds4

About [2-(4,5-dihydro-1H-imidazol-2-ylmethylamino)-6-methylphenyl]-pyrrolidin-1-ylmethanone

[2-(4,5-dihydro-1H-imidazol-2-ylmethylamino)-6-methylphenyl]-pyrrolidin-1-ylmethanone (PubChem CID 22493423) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is [2-(4,5-dihydro-1H-imidazol-2-ylmethylamino)-6-methylphenyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[2-(4,5-dihydro-1H-imidazol-2-ylmethylamino)-6-methylphenyl]-pyrrolidin-1-ylmethanone
PubChem CID22493423
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name[2-(4,5-dihydro-1H-imidazol-2-ylmethylamino)-6-methylphenyl]-pyrrolidin-1-ylmethanone
SMILESCc1cccc(NCC2=NCCN2)c1C(=O)N1CCCC1
InChIInChI=1S/C16H22N4O/c1-12-5-4-6-13(19-11-14-17-7-8-18-14)15(12)16(21)20-9-2-3-10-20/h4-6,19H,2-3,7-11H2,1H3,(H,17,18)
InChIKeyFBASVUZOCQKNCS-UHFFFAOYSA-N
XLogP1.64
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [2-(4,5-dihydro-1H-imidazol-2-ylmethylamino)-6-methylphenyl]-pyrrolidin-1-ylmethanone 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

[5-bromo-2-(4,5-dihydro-1H-imidazol-2-ylmethylamino)phenyl]-pyrrolidin-1-ylmethanone
CID 22493321
[4-chloro-2-(4,5-dihydro-1H-imidazol-2-ylmethylamino)phenyl]-pyrrolidin-1-ylmethanone
CID 22493345
N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]piperidine-4-carboxamide
CID 119285186
2-[3-methyl-2-(pyrrolidine-1-carbonyl)anilino]-N-(2,2,2-trifluoroethyl)acetamide
CID 47063875
N-(3-cyanophenyl)-2-[3-methyl-2-(pyrrolidine-1-carbonyl)anilino]acetamide
CID 47063880
N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119715831
3-chloro-N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-fluoroaniline
CID 14878257
N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119715827
1-[(2R)-2-hydroxy-2-methylbutyl]-3-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]urea
CID 95168023
2-(1-hydroxycyclohexyl)-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 111331876
2-methyl-3-(methylamino)-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]propanamide;hydrochloride
CID 119715817
4-(2,6-dimethylbenzoyl)-1,4-diazepan-2-one
CID 113258340

Frequently Asked Questions

What is the IUPAC name of [2-(4,5-dihydro-1H-imidazol-2-ylmethylamino)-6-methylphenyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [2-(4,5-dihydro-1H-imidazol-2-ylmethylamino)-6-methylphenyl]-pyrrolidin-1-ylmethanone (CID 22493423) is [2-(4,5-dihydro-1H-imidazol-2-ylmethylamino)-6-methylphenyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [2-(4,5-dihydro-1H-imidazol-2-ylmethylamino)-6-methylphenyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [2-(4,5-dihydro-1H-imidazol-2-ylmethylamino)-6-methylphenyl]-pyrrolidin-1-ylmethanone is Cc1cccc(NCC2=NCCN2)c1C(=O)N1CCCC1.
What is the InChIKey of [2-(4,5-dihydro-1H-imidazol-2-ylmethylamino)-6-methylphenyl]-pyrrolidin-1-ylmethanone?
The InChIKey is FBASVUZOCQKNCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-12-5-4-6-13(19-11-14-17-7-8-18-14)15(12)16(21)20-9-2-3-10-20/h4-6,19H,2-3,7-11H2,1H3,(H,17,18).
What are the key properties of [2-(4,5-dihydro-1H-imidazol-2-ylmethylamino)-6-methylphenyl]-pyrrolidin-1-ylmethanone?
[2-(4,5-dihydro-1H-imidazol-2-ylmethylamino)-6-methylphenyl]-pyrrolidin-1-ylmethanone has a molecular weight of 286.38 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4,5-dihydro-1H-imidazol-2-ylmethylamino)-6-methylphenyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 22493423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).