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

C27H31N3O3 — CID 134369629

IUPACN-(cyclopropylmethyl)-N-[[5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-ethoxyphenyl]methyl]-3-methoxybenzamide
SMILESCCOc1ccc(-c2cn3c(n2)CCC3)cc1CN(CC1CC1)C(=O)c1cccc(OC)c1
InChIInChI=1S/C27H31N3O3/c1-3-33-25-12-11-20(24-18-29-13-5-8-26(29)28-24)14-22(25)17-30(16-19-9-10-19)27(31)21-6-4-7-23(15-21)32-2/h4,6-7,11-12,14-15,18-19H,3,5,8-10,13,16-17H2,1-2H3
InChIKeyLZJTUJUGRLHZQK-UHFFFAOYSA-N
MW445.56 g/mol
LogP4.96
Rot. Bonds9

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

N-(cyclopropylmethyl)-N-[[5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-ethoxyphenyl]methyl]-3-methoxybenzamide (PubChem CID 134369629) has the molecular formula C27H31N3O3 and a molecular weight of 445.56 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-[[5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-ethoxyphenyl]methyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-[[5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-ethoxyphenyl]methyl]-3-methoxybenzamide
PubChem CID134369629
Molecular FormulaC27H31N3O3
Molecular Weight445.56 g/mol
Exact Mass445.24
IUPAC NameN-(cyclopropylmethyl)-N-[[5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-ethoxyphenyl]methyl]-3-methoxybenzamide
SMILESCCOc1ccc(-c2cn3c(n2)CCC3)cc1CN(CC1CC1)C(=O)c1cccc(OC)c1
InChIInChI=1S/C27H31N3O3/c1-3-33-25-12-11-20(24-18-29-13-5-8-26(29)28-24)14-22(25)17-30(16-19-9-10-19)27(31)21-6-4-7-23(15-21)32-2/h4,6-7,11-12,14-15,18-19H,3,5,8-10,13,16-17H2,1-2H3
InChIKeyLZJTUJUGRLHZQK-UHFFFAOYSA-N
XLogP4.96
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.56
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-[[5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-ethoxyphenyl]methyl]-3-methoxybenzamide?
The IUPAC name of N-(cyclopropylmethyl)-N-[[5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-ethoxyphenyl]methyl]-3-methoxybenzamide (CID 134369629) is N-(cyclopropylmethyl)-N-[[5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-ethoxyphenyl]methyl]-3-methoxybenzamide.
What is the SMILES notation for N-(cyclopropylmethyl)-N-[[5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-ethoxyphenyl]methyl]-3-methoxybenzamide?
The canonical SMILES for N-(cyclopropylmethyl)-N-[[5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-ethoxyphenyl]methyl]-3-methoxybenzamide is CCOc1ccc(-c2cn3c(n2)CCC3)cc1CN(CC1CC1)C(=O)c1cccc(OC)c1.
What is the InChIKey of N-(cyclopropylmethyl)-N-[[5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-ethoxyphenyl]methyl]-3-methoxybenzamide?
The InChIKey is LZJTUJUGRLHZQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N3O3/c1-3-33-25-12-11-20(24-18-29-13-5-8-26(29)28-24)14-22(25)17-30(16-19-9-10-19)27(31)21-6-4-7-23(15-21)32-2/h4,6-7,11-12,14-15,18-19H,3,5,8-10,13,16-17H2,1-2H3.
What are the key properties of N-(cyclopropylmethyl)-N-[[5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-ethoxyphenyl]methyl]-3-methoxybenzamide?
N-(cyclopropylmethyl)-N-[[5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-ethoxyphenyl]methyl]-3-methoxybenzamide has a molecular weight of 445.56 g/mol, XLogP of 4.96, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-[[5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-ethoxyphenyl]methyl]-3-methoxybenzamide is sourced from PubChem (CID 134369629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).