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

C29H33N3O3 — CID 134369650

IUPACN-[[2-cyclobutyloxy-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-N-(cyclopropylmethyl)-3-methoxybenzamide
SMILESCOc1cccc(C(=O)N(Cc2cc(-c3cn4c(n3)CCC4)ccc2OC2CCC2)CC2CC2)c1
InChIInChI=1S/C29H33N3O3/c1-34-25-8-2-5-22(16-25)29(33)32(17-20-10-11-20)18-23-15-21(12-13-27(23)35-24-6-3-7-24)26-19-31-14-4-9-28(31)30-26/h2,5,8,12-13,15-16,19-20,24H,3-4,6-7,9-11,14,17-18H2,1H3
InChIKeyIDRQLZRSEYEXMR-UHFFFAOYSA-N
MW471.60 g/mol
LogP5.49
Rot. Bonds9

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

N-[[2-cyclobutyloxy-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-N-(cyclopropylmethyl)-3-methoxybenzamide (PubChem CID 134369650) has the molecular formula C29H33N3O3 and a molecular weight of 471.60 g/mol. Its IUPAC name is N-[[2-cyclobutyloxy-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-N-(cyclopropylmethyl)-3-methoxybenzamide.

Molecular Properties

Compound NameN-[[2-cyclobutyloxy-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-N-(cyclopropylmethyl)-3-methoxybenzamide
PubChem CID134369650
Molecular FormulaC29H33N3O3
Molecular Weight471.60 g/mol
Exact Mass471.25
IUPAC NameN-[[2-cyclobutyloxy-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-N-(cyclopropylmethyl)-3-methoxybenzamide
SMILESCOc1cccc(C(=O)N(Cc2cc(-c3cn4c(n3)CCC4)ccc2OC2CCC2)CC2CC2)c1
InChIInChI=1S/C29H33N3O3/c1-34-25-8-2-5-22(16-25)29(33)32(17-20-10-11-20)18-23-15-21(12-13-27(23)35-24-6-3-7-24)26-19-31-14-4-9-28(31)30-26/h2,5,8,12-13,15-16,19-20,24H,3-4,6-7,9-11,14,17-18H2,1H3
InChIKeyIDRQLZRSEYEXMR-UHFFFAOYSA-N
XLogP5.49
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.60
LogP ≤ 55.49
H-Bond Donors ≤ 50
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]-N-(cyclopropylmethyl)-3-methoxybenzamide?
The IUPAC name of N-[[2-cyclobutyloxy-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-N-(cyclopropylmethyl)-3-methoxybenzamide (CID 134369650) is N-[[2-cyclobutyloxy-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-N-(cyclopropylmethyl)-3-methoxybenzamide.
What is the SMILES notation for N-[[2-cyclobutyloxy-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-N-(cyclopropylmethyl)-3-methoxybenzamide?
The canonical SMILES for N-[[2-cyclobutyloxy-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-N-(cyclopropylmethyl)-3-methoxybenzamide is COc1cccc(C(=O)N(Cc2cc(-c3cn4c(n3)CCC4)ccc2OC2CCC2)CC2CC2)c1.
What is the InChIKey of N-[[2-cyclobutyloxy-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-N-(cyclopropylmethyl)-3-methoxybenzamide?
The InChIKey is IDRQLZRSEYEXMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N3O3/c1-34-25-8-2-5-22(16-25)29(33)32(17-20-10-11-20)18-23-15-21(12-13-27(23)35-24-6-3-7-24)26-19-31-14-4-9-28(31)30-26/h2,5,8,12-13,15-16,19-20,24H,3-4,6-7,9-11,14,17-18H2,1H3.
What are the key properties of N-[[2-cyclobutyloxy-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-N-(cyclopropylmethyl)-3-methoxybenzamide?
N-[[2-cyclobutyloxy-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-N-(cyclopropylmethyl)-3-methoxybenzamide has a molecular weight of 471.60 g/mol, XLogP of 5.49, 9 rotatable bonds, 0 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]-N-(cyclopropylmethyl)-3-methoxybenzamide is sourced from PubChem (CID 134369650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).