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

C30H35N3O3 — CID 134364156

IUPACN-[[2-cyclobutyloxy-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-N-(cyclopropylmethyl)-3-methoxy-4-methylbenzamide
SMILESCOc1cc(C(=O)N(Cc2cc(-c3cn4c(n3)CCC4)ccc2OC2CCC2)CC2CC2)ccc1C
InChIInChI=1S/C30H35N3O3/c1-20-8-11-23(16-28(20)35-2)30(34)33(17-21-9-10-21)18-24-15-22(12-13-27(24)36-25-5-3-6-25)26-19-32-14-4-7-29(32)31-26/h8,11-13,15-16,19,21,25H,3-7,9-10,14,17-18H2,1-2H3
InChIKeyOSPGDFKBCFSGOZ-UHFFFAOYSA-N
MW485.63 g/mol
LogP5.80
Rot. Bonds9

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

N-[[2-cyclobutyloxy-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-N-(cyclopropylmethyl)-3-methoxy-4-methylbenzamide (PubChem CID 134364156) has the molecular formula C30H35N3O3 and a molecular weight of 485.63 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-methoxy-4-methylbenzamide.

Molecular Properties

Compound NameN-[[2-cyclobutyloxy-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-N-(cyclopropylmethyl)-3-methoxy-4-methylbenzamide
PubChem CID134364156
Molecular FormulaC30H35N3O3
Molecular Weight485.63 g/mol
Exact Mass485.27
IUPAC NameN-[[2-cyclobutyloxy-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-N-(cyclopropylmethyl)-3-methoxy-4-methylbenzamide
SMILESCOc1cc(C(=O)N(Cc2cc(-c3cn4c(n3)CCC4)ccc2OC2CCC2)CC2CC2)ccc1C
InChIInChI=1S/C30H35N3O3/c1-20-8-11-23(16-28(20)35-2)30(34)33(17-21-9-10-21)18-24-15-22(12-13-27(24)36-25-5-3-6-25)26-19-32-14-4-7-29(32)31-26/h8,11-13,15-16,19,21,25H,3-7,9-10,14,17-18H2,1-2H3
InChIKeyOSPGDFKBCFSGOZ-UHFFFAOYSA-N
XLogP5.80
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.63
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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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-methoxy-4-methylbenzamide?
The IUPAC name of N-[[2-cyclobutyloxy-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-N-(cyclopropylmethyl)-3-methoxy-4-methylbenzamide (CID 134364156) is N-[[2-cyclobutyloxy-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-N-(cyclopropylmethyl)-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]-N-(cyclopropylmethyl)-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]-N-(cyclopropylmethyl)-3-methoxy-4-methylbenzamide is COc1cc(C(=O)N(Cc2cc(-c3cn4c(n3)CCC4)ccc2OC2CCC2)CC2CC2)ccc1C.
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-methoxy-4-methylbenzamide?
The InChIKey is OSPGDFKBCFSGOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N3O3/c1-20-8-11-23(16-28(20)35-2)30(34)33(17-21-9-10-21)18-24-15-22(12-13-27(24)36-25-5-3-6-25)26-19-32-14-4-7-29(32)31-26/h8,11-13,15-16,19,21,25H,3-7,9-10,14,17-18H2,1-2H3.
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-methoxy-4-methylbenzamide?
N-[[2-cyclobutyloxy-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-N-(cyclopropylmethyl)-3-methoxy-4-methylbenzamide has a molecular weight of 485.63 g/mol, XLogP of 5.80, 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-methoxy-4-methylbenzamide is sourced from PubChem (CID 134364156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).