N-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]butanamide

C16H19N3O — CID 90557131

IUPACN-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(-c2cnc3n2CCC3)cc1
InChIInChI=1S/C16H19N3O/c1-2-4-16(20)18-13-8-6-12(7-9-13)14-11-17-15-5-3-10-19(14)15/h6-9,11H,2-5,10H2,1H3,(H,18,20)
InChIKeySFVQUBJCZCILLS-UHFFFAOYSA-N
MW269.35 g/mol
LogP3.23
Rot. Bonds4

About N-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]butanamide

N-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]butanamide (PubChem CID 90557131) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is N-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]butanamide.

Molecular Properties

Compound NameN-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]butanamide
PubChem CID90557131
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC NameN-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(-c2cnc3n2CCC3)cc1
InChIInChI=1S/C16H19N3O/c1-2-4-16(20)18-13-8-6-12(7-9-13)14-11-17-15-5-3-10-19(14)15/h6-9,11H,2-5,10H2,1H3,(H,18,20)
InChIKeySFVQUBJCZCILLS-UHFFFAOYSA-N
XLogP3.23
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-4-oxo-4-phenylbutanamide
CID 90557096
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
1-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-3-phenylurea
CID 90557320
1-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-3-(2-methoxyethyl)urea
CID 90557353
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]-2,6-difluorobenzamide
CID 90557184
2,4-dichloro-N-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]benzamide
CID 90557186
1-(4-butoxyphenyl)-3-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]urea
CID 90557031
1-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-3-[2-(4-methoxyphenyl)ethyl]urea
CID 71797978
3-cyclohexyl-N-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]propanamide
CID 90556846

Frequently Asked Questions

What is the IUPAC name of N-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]butanamide?
The IUPAC name of N-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]butanamide (CID 90557131) is N-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]butanamide.
What is the SMILES notation for N-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]butanamide?
The canonical SMILES for N-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]butanamide is CCCC(=O)Nc1ccc(-c2cnc3n2CCC3)cc1.
What is the InChIKey of N-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]butanamide?
The InChIKey is SFVQUBJCZCILLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-2-4-16(20)18-13-8-6-12(7-9-13)14-11-17-15-5-3-10-19(14)15/h6-9,11H,2-5,10H2,1H3,(H,18,20).
What are the key properties of N-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]butanamide?
N-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]butanamide has a molecular weight of 269.35 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]butanamide is sourced from PubChem (CID 90557131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).