N-[1-[5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-morpholin-4-ylphenyl]ethyl]-3-methoxy-4-methylbenzamide

C27H32N4O3 — CID 134369728

IUPACN-[1-[5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-morpholin-4-ylphenyl]ethyl]-3-methoxy-4-methylbenzamide
SMILESCOc1cc(C(=O)NC(C)c2cc(-c3cn4c(n3)CCC4)ccc2N2CCOCC2)ccc1C
InChIInChI=1S/C27H32N4O3/c1-18-6-7-21(16-25(18)33-3)27(32)28-19(2)22-15-20(23-17-31-10-4-5-26(31)29-23)8-9-24(22)30-11-13-34-14-12-30/h6-9,15-17,19H,4-5,10-14H2,1-3H3,(H,28,32)
InChIKeyGUZUPJQJDVGVHS-UHFFFAOYSA-N
MW460.58 g/mol
LogP4.14
Rot. Bonds6

About N-[1-[5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-morpholin-4-ylphenyl]ethyl]-3-methoxy-4-methylbenzamide

N-[1-[5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-morpholin-4-ylphenyl]ethyl]-3-methoxy-4-methylbenzamide (PubChem CID 134369728) has the molecular formula C27H32N4O3 and a molecular weight of 460.58 g/mol. Its IUPAC name is N-[1-[5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-morpholin-4-ylphenyl]ethyl]-3-methoxy-4-methylbenzamide.

Molecular Properties

Compound NameN-[1-[5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-morpholin-4-ylphenyl]ethyl]-3-methoxy-4-methylbenzamide
PubChem CID134369728
Molecular FormulaC27H32N4O3
Molecular Weight460.58 g/mol
Exact Mass460.25
IUPAC NameN-[1-[5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-morpholin-4-ylphenyl]ethyl]-3-methoxy-4-methylbenzamide
SMILESCOc1cc(C(=O)NC(C)c2cc(-c3cn4c(n3)CCC4)ccc2N2CCOCC2)ccc1C
InChIInChI=1S/C27H32N4O3/c1-18-6-7-21(16-25(18)33-3)27(32)28-19(2)22-15-20(23-17-31-10-4-5-26(31)29-23)8-9-24(22)30-11-13-34-14-12-30/h6-9,15-17,19H,4-5,10-14H2,1-3H3,(H,28,32)
InChIKeyGUZUPJQJDVGVHS-UHFFFAOYSA-N
XLogP4.14
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.58
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-morpholin-4-ylphenyl]ethyl]-3-methoxy-4-methylbenzamide?
The IUPAC name of N-[1-[5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-morpholin-4-ylphenyl]ethyl]-3-methoxy-4-methylbenzamide (CID 134369728) is N-[1-[5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-morpholin-4-ylphenyl]ethyl]-3-methoxy-4-methylbenzamide.
What is the SMILES notation for N-[1-[5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-morpholin-4-ylphenyl]ethyl]-3-methoxy-4-methylbenzamide?
The canonical SMILES for N-[1-[5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-morpholin-4-ylphenyl]ethyl]-3-methoxy-4-methylbenzamide is COc1cc(C(=O)NC(C)c2cc(-c3cn4c(n3)CCC4)ccc2N2CCOCC2)ccc1C.
What is the InChIKey of N-[1-[5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-morpholin-4-ylphenyl]ethyl]-3-methoxy-4-methylbenzamide?
The InChIKey is GUZUPJQJDVGVHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O3/c1-18-6-7-21(16-25(18)33-3)27(32)28-19(2)22-15-20(23-17-31-10-4-5-26(31)29-23)8-9-24(22)30-11-13-34-14-12-30/h6-9,15-17,19H,4-5,10-14H2,1-3H3,(H,28,32).
What are the key properties of N-[1-[5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-morpholin-4-ylphenyl]ethyl]-3-methoxy-4-methylbenzamide?
N-[1-[5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-morpholin-4-ylphenyl]ethyl]-3-methoxy-4-methylbenzamide has a molecular weight of 460.58 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-morpholin-4-ylphenyl]ethyl]-3-methoxy-4-methylbenzamide is sourced from PubChem (CID 134369728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).