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

C26H29N3O3 — CID 134369708

IUPACN-[[2-cyclobutyloxy-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-3-methoxy-4-methylbenzamide
SMILESCOc1cc(C(=O)NCc2cc(-c3cn4c(n3)CCC4)ccc2OC2CCC2)ccc1C
InChIInChI=1S/C26H29N3O3/c1-17-8-9-19(14-24(17)31-2)26(30)27-15-20-13-18(10-11-23(20)32-21-5-3-6-21)22-16-29-12-4-7-25(29)28-22/h8-11,13-14,16,21H,3-7,12,15H2,1-2H3,(H,27,30)
InChIKeyASFCKFRAVIIYOS-UHFFFAOYSA-N
MW431.54 g/mol
LogP4.67
Rot. Bonds7

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

N-[[2-cyclobutyloxy-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-3-methoxy-4-methylbenzamide (PubChem CID 134369708) has the molecular formula C26H29N3O3 and a molecular weight of 431.54 g/mol. Its IUPAC name is N-[[2-cyclobutyloxy-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-3-methoxy-4-methylbenzamide.

Molecular Properties

Compound NameN-[[2-cyclobutyloxy-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-3-methoxy-4-methylbenzamide
PubChem CID134369708
Molecular FormulaC26H29N3O3
Molecular Weight431.54 g/mol
Exact Mass431.22
IUPAC NameN-[[2-cyclobutyloxy-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-3-methoxy-4-methylbenzamide
SMILESCOc1cc(C(=O)NCc2cc(-c3cn4c(n3)CCC4)ccc2OC2CCC2)ccc1C
InChIInChI=1S/C26H29N3O3/c1-17-8-9-19(14-24(17)31-2)26(30)27-15-20-13-18(10-11-23(20)32-21-5-3-6-21)22-16-29-12-4-7-25(29)28-22/h8-11,13-14,16,21H,3-7,12,15H2,1-2H3,(H,27,30)
InChIKeyASFCKFRAVIIYOS-UHFFFAOYSA-N
XLogP4.67
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[2-cyclobutyloxy-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-3-methoxy-4-methylbenzamide?
The IUPAC name of N-[[2-cyclobutyloxy-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-3-methoxy-4-methylbenzamide (CID 134369708) is N-[[2-cyclobutyloxy-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-3-methoxy-4-methylbenzamide.
What is the SMILES notation for N-[[2-cyclobutyloxy-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-3-methoxy-4-methylbenzamide?
The canonical SMILES for N-[[2-cyclobutyloxy-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-3-methoxy-4-methylbenzamide is COc1cc(C(=O)NCc2cc(-c3cn4c(n3)CCC4)ccc2OC2CCC2)ccc1C.
What is the InChIKey of N-[[2-cyclobutyloxy-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-3-methoxy-4-methylbenzamide?
The InChIKey is ASFCKFRAVIIYOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O3/c1-17-8-9-19(14-24(17)31-2)26(30)27-15-20-13-18(10-11-23(20)32-21-5-3-6-21)22-16-29-12-4-7-25(29)28-22/h8-11,13-14,16,21H,3-7,12,15H2,1-2H3,(H,27,30).
What are the key properties of N-[[2-cyclobutyloxy-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-3-methoxy-4-methylbenzamide?
N-[[2-cyclobutyloxy-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-3-methoxy-4-methylbenzamide has a molecular weight of 431.54 g/mol, XLogP of 4.67, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-cyclobutyloxy-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-3-methoxy-4-methylbenzamide is sourced from PubChem (CID 134369708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).