1-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-3-(3-methoxyphenyl)-1-methylurea

C22H24N4O2 — CID 134369577

IUPAC1-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-3-(3-methoxyphenyl)-1-methylurea
SMILESCOc1cccc(NC(=O)N(C)Cc2cccc(-c3cn4c(n3)CCC4)c2)c1
InChIInChI=1S/C22H24N4O2/c1-25(22(27)23-18-8-4-9-19(13-18)28-2)14-16-6-3-7-17(12-16)20-15-26-11-5-10-21(26)24-20/h3-4,6-9,12-13,15H,5,10-11,14H2,1-2H3,(H,23,27)
InChIKeyYJOIVQVPBKWNIV-UHFFFAOYSA-N
MW376.46 g/mol
LogP4.17
Rot. Bonds5

About 1-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-3-(3-methoxyphenyl)-1-methylurea

1-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-3-(3-methoxyphenyl)-1-methylurea (PubChem CID 134369577) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 1-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-3-(3-methoxyphenyl)-1-methylurea.

Molecular Properties

Compound Name1-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-3-(3-methoxyphenyl)-1-methylurea
PubChem CID134369577
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name1-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-3-(3-methoxyphenyl)-1-methylurea
SMILESCOc1cccc(NC(=O)N(C)Cc2cccc(-c3cn4c(n3)CCC4)c2)c1
InChIInChI=1S/C22H24N4O2/c1-25(22(27)23-18-8-4-9-19(13-18)28-2)14-16-6-3-7-17(12-16)20-15-26-11-5-10-21(26)24-20/h3-4,6-9,12-13,15H,5,10-11,14H2,1-2H3,(H,23,27)
InChIKeyYJOIVQVPBKWNIV-UHFFFAOYSA-N
XLogP4.17
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-3-methoxy-N-methylbenzamide
CID 134369647
1-[(4-methoxyphenyl)methyl]-3-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]urea
CID 47075960
N-(dicyclopropylmethyl)-N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-3-methoxybenzamide
CID 134369624
N-(3-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
CID 71838091
1-[(3-hydroxy-4-methoxyphenyl)methyl]-3-(3-methoxyphenyl)-1-methylurea
CID 87044605
1-[(3-methoxyphenyl)methyl]-1-methyl-3-[3-(phenylcarbamoylamino)phenyl]urea
CID 55698533
[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methanamine
CID 84734776
3-(dimethylsulfamoyl)-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]thiophene-2-carboxamide
CID 86933739
N-[[5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-phenoxyphenyl]methyl]-3-methoxybenzamide
CID 134369657
3-(3-methoxyphenyl)-1-methyl-1-[(2-pyrrolidin-1-ylphenyl)methyl]urea
CID 51328293
3,3-dimethyl-N-[2-oxo-2-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)anilino]ethyl]butanamide
CID 71887416
3-(3-methoxyphenyl)-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]-1H-pyrazole-5-carboxamide
CID 122282874

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-3-(3-methoxyphenyl)-1-methylurea?
The IUPAC name of 1-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-3-(3-methoxyphenyl)-1-methylurea (CID 134369577) is 1-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-3-(3-methoxyphenyl)-1-methylurea.
What is the SMILES notation for 1-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-3-(3-methoxyphenyl)-1-methylurea?
The canonical SMILES for 1-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-3-(3-methoxyphenyl)-1-methylurea is COc1cccc(NC(=O)N(C)Cc2cccc(-c3cn4c(n3)CCC4)c2)c1.
What is the InChIKey of 1-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-3-(3-methoxyphenyl)-1-methylurea?
The InChIKey is YJOIVQVPBKWNIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-25(22(27)23-18-8-4-9-19(13-18)28-2)14-16-6-3-7-17(12-16)20-15-26-11-5-10-21(26)24-20/h3-4,6-9,12-13,15H,5,10-11,14H2,1-2H3,(H,23,27).
What are the key properties of 1-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-3-(3-methoxyphenyl)-1-methylurea?
1-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-3-(3-methoxyphenyl)-1-methylurea has a molecular weight of 376.46 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-3-(3-methoxyphenyl)-1-methylurea is sourced from PubChem (CID 134369577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).