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

C28H31N3O2 — CID 134369624

IUPACN-(dicyclopropylmethyl)-N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)N(Cc2cccc(-c3cn4c(n3)CCC4)c2)C(C2CC2)C2CC2)c1
InChIInChI=1S/C28H31N3O2/c1-33-24-8-3-7-23(16-24)28(32)31(27(20-10-11-20)21-12-13-21)17-19-5-2-6-22(15-19)25-18-30-14-4-9-26(30)29-25/h2-3,5-8,15-16,18,20-21,27H,4,9-14,17H2,1H3
InChIKeyGBQKSWUZFZLJQQ-UHFFFAOYSA-N
MW441.58 g/mol
LogP5.34
Rot. Bonds8

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

N-(dicyclopropylmethyl)-N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-3-methoxybenzamide (PubChem CID 134369624) has the molecular formula C28H31N3O2 and a molecular weight of 441.58 g/mol. Its IUPAC name is N-(dicyclopropylmethyl)-N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-(dicyclopropylmethyl)-N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-3-methoxybenzamide
PubChem CID134369624
Molecular FormulaC28H31N3O2
Molecular Weight441.58 g/mol
Exact Mass441.24
IUPAC NameN-(dicyclopropylmethyl)-N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)N(Cc2cccc(-c3cn4c(n3)CCC4)c2)C(C2CC2)C2CC2)c1
InChIInChI=1S/C28H31N3O2/c1-33-24-8-3-7-23(16-24)28(32)31(27(20-10-11-20)21-12-13-21)17-19-5-2-6-22(15-19)25-18-30-14-4-9-26(30)29-25/h2-3,5-8,15-16,18,20-21,27H,4,9-14,17H2,1H3
InChIKeyGBQKSWUZFZLJQQ-UHFFFAOYSA-N
XLogP5.34
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.58
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(dicyclopropylmethyl)-N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-3-methoxybenzamide?
The IUPAC name of N-(dicyclopropylmethyl)-N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-3-methoxybenzamide (CID 134369624) is N-(dicyclopropylmethyl)-N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-3-methoxybenzamide.
What is the SMILES notation for N-(dicyclopropylmethyl)-N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-3-methoxybenzamide?
The canonical SMILES for N-(dicyclopropylmethyl)-N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-3-methoxybenzamide is COc1cccc(C(=O)N(Cc2cccc(-c3cn4c(n3)CCC4)c2)C(C2CC2)C2CC2)c1.
What is the InChIKey of N-(dicyclopropylmethyl)-N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-3-methoxybenzamide?
The InChIKey is GBQKSWUZFZLJQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N3O2/c1-33-24-8-3-7-23(16-24)28(32)31(27(20-10-11-20)21-12-13-21)17-19-5-2-6-22(15-19)25-18-30-14-4-9-26(30)29-25/h2-3,5-8,15-16,18,20-21,27H,4,9-14,17H2,1H3.
What are the key properties of N-(dicyclopropylmethyl)-N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-3-methoxybenzamide?
N-(dicyclopropylmethyl)-N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-3-methoxybenzamide has a molecular weight of 441.58 g/mol, XLogP of 5.34, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dicyclopropylmethyl)-N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-3-methoxybenzamide is sourced from PubChem (CID 134369624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).