1-chloro-3-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)anilino]propan-2-ol

C15H18ClN3O — CID 168639378

IUPAC1-chloro-3-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)anilino]propan-2-ol
SMILESOC(CCl)CNc1ccc(-c2cnc3n2CCC3)cc1
InChIInChI=1S/C15H18ClN3O/c16-8-13(20)9-17-12-5-3-11(4-6-12)14-10-18-15-2-1-7-19(14)15/h3-6,10,13,17,20H,1-2,7-9H2
InChIKeyDQXCEPJXCYRBTG-UHFFFAOYSA-N
MW291.78 g/mol
LogP2.51
Rot. Bonds5

About 1-chloro-3-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)anilino]propan-2-ol

1-chloro-3-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)anilino]propan-2-ol (PubChem CID 168639378) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is 1-chloro-3-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)anilino]propan-2-ol.

Molecular Properties

Compound Name1-chloro-3-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)anilino]propan-2-ol
PubChem CID168639378
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC Name1-chloro-3-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)anilino]propan-2-ol
SMILESOC(CCl)CNc1ccc(-c2cnc3n2CCC3)cc1
InChIInChI=1S/C15H18ClN3O/c16-8-13(20)9-17-12-5-3-11(4-6-12)14-10-18-15-2-1-7-19(14)15/h3-6,10,13,17,20H,1-2,7-9H2
InChIKeyDQXCEPJXCYRBTG-UHFFFAOYSA-N
XLogP2.51
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-3-phenylurea
CID 90557320
N-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]butanamide
CID 90557131
1-(3,4-dichlorophenyl)-3-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]urea
CID 90557325
4-chloro-N-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]benzamide
CID 90557180
N-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-2-phenylacetamide
CID 90557225
N-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-2-(4-methylphenoxy)acetamide
CID 90557220
N-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-4-oxo-4-phenylbutanamide
CID 90557096
1-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-3-(2-methoxyethyl)urea
CID 90557353
2,4-dichloro-N-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]benzamide
CID 90557186
N-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-2,6-difluorobenzamide
CID 90557184
3-(4-phenylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine chloride
CID 21178987
1-chloro-3-[4-(4-phenylphenyl)anilino]propan-2-ol
CID 168636829

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)anilino]propan-2-ol?
The IUPAC name of 1-chloro-3-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)anilino]propan-2-ol (CID 168639378) is 1-chloro-3-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)anilino]propan-2-ol.
What is the SMILES notation for 1-chloro-3-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)anilino]propan-2-ol?
The canonical SMILES for 1-chloro-3-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)anilino]propan-2-ol is OC(CCl)CNc1ccc(-c2cnc3n2CCC3)cc1.
What is the InChIKey of 1-chloro-3-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)anilino]propan-2-ol?
The InChIKey is DQXCEPJXCYRBTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O/c16-8-13(20)9-17-12-5-3-11(4-6-12)14-10-18-15-2-1-7-19(14)15/h3-6,10,13,17,20H,1-2,7-9H2.
What are the key properties of 1-chloro-3-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)anilino]propan-2-ol?
1-chloro-3-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)anilino]propan-2-ol has a molecular weight of 291.78 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)anilino]propan-2-ol is sourced from PubChem (CID 168639378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).