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

C32H33N3O3 — CID 134369635

IUPACN-(cyclopropylmethyl)-N-[[5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-phenylmethoxyphenyl]methyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)N(Cc2cc(-c3cn4c(n3)CCC4)ccc2OCc2ccccc2)CC2CC2)c1
InChIInChI=1S/C32H33N3O3/c1-37-28-10-5-9-26(18-28)32(36)35(19-23-12-13-23)20-27-17-25(29-21-34-16-6-11-31(34)33-29)14-15-30(27)38-22-24-7-3-2-4-8-24/h2-5,7-10,14-15,17-18,21,23H,6,11-13,16,19-20,22H2,1H3
InChIKeySLLMFZYBNUKXDQ-UHFFFAOYSA-N
MW507.63 g/mol
LogP6.14
Rot. Bonds10

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

N-(cyclopropylmethyl)-N-[[5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-phenylmethoxyphenyl]methyl]-3-methoxybenzamide (PubChem CID 134369635) has the molecular formula C32H33N3O3 and a molecular weight of 507.63 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-[[5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-phenylmethoxyphenyl]methyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-[[5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-phenylmethoxyphenyl]methyl]-3-methoxybenzamide
PubChem CID134369635
Molecular FormulaC32H33N3O3
Molecular Weight507.63 g/mol
Exact Mass507.25
IUPAC NameN-(cyclopropylmethyl)-N-[[5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-phenylmethoxyphenyl]methyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)N(Cc2cc(-c3cn4c(n3)CCC4)ccc2OCc2ccccc2)CC2CC2)c1
InChIInChI=1S/C32H33N3O3/c1-37-28-10-5-9-26(18-28)32(36)35(19-23-12-13-23)20-27-17-25(29-21-34-16-6-11-31(34)33-29)14-15-30(27)38-22-24-7-3-2-4-8-24/h2-5,7-10,14-15,17-18,21,23H,6,11-13,16,19-20,22H2,1H3
InChIKeySLLMFZYBNUKXDQ-UHFFFAOYSA-N
XLogP6.14
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.63
LogP ≤ 56.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-phenylmethoxyphenyl]methyl]-3-methoxybenzamide?
The IUPAC name of N-(cyclopropylmethyl)-N-[[5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-phenylmethoxyphenyl]methyl]-3-methoxybenzamide (CID 134369635) is N-(cyclopropylmethyl)-N-[[5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-phenylmethoxyphenyl]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-phenylmethoxyphenyl]methyl]-3-methoxybenzamide?
The canonical SMILES for N-(cyclopropylmethyl)-N-[[5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-phenylmethoxyphenyl]methyl]-3-methoxybenzamide is COc1cccc(C(=O)N(Cc2cc(-c3cn4c(n3)CCC4)ccc2OCc2ccccc2)CC2CC2)c1.
What is the InChIKey of N-(cyclopropylmethyl)-N-[[5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-phenylmethoxyphenyl]methyl]-3-methoxybenzamide?
The InChIKey is SLLMFZYBNUKXDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33N3O3/c1-37-28-10-5-9-26(18-28)32(36)35(19-23-12-13-23)20-27-17-25(29-21-34-16-6-11-31(34)33-29)14-15-30(27)38-22-24-7-3-2-4-8-24/h2-5,7-10,14-15,17-18,21,23H,6,11-13,16,19-20,22H2,1H3.
What are the key properties of N-(cyclopropylmethyl)-N-[[5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-phenylmethoxyphenyl]methyl]-3-methoxybenzamide?
N-(cyclopropylmethyl)-N-[[5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-phenylmethoxyphenyl]methyl]-3-methoxybenzamide has a molecular weight of 507.63 g/mol, XLogP of 6.14, 10 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-phenylmethoxyphenyl]methyl]-3-methoxybenzamide is sourced from PubChem (CID 134369635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).