N-(cyclopropylmethyl)-2-(3,4-dichlorophenyl)-N-[[5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-propan-2-yloxyphenyl]methyl]acetamide

C28H31Cl2N3O2 — CID 134369665

About N-(cyclopropylmethyl)-2-(3,4-dichlorophenyl)-N-[[5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-propan-2-yloxyphenyl]methyl]acetamide

N-(cyclopropylmethyl)-2-(3,4-dichlorophenyl)-N-[[5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-propan-2-yloxyphenyl]methyl]acetamide (PubChem CID 134369665) has the molecular formula C28H31Cl2N3O2 and a molecular weight of 512.48 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-(3,4-dichlorophenyl)-N-[[5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-propan-2-yloxyphenyl]methyl]acetamide.

Molecular Properties

• Compound Name: N-(cyclopropylmethyl)-2-(3,4-dichlorophenyl)-N-[[5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-propan-2-yloxyphenyl]methyl]acetamide
• PubChem CID: 134369665
• Molecular Formula: C28H31Cl2N3O2
• Molecular Weight: 512.48 g/mol
• Exact Mass: 511.18
• IUPAC Name: N-(cyclopropylmethyl)-2-(3,4-dichlorophenyl)-N-[[5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-propan-2-yloxyphenyl]methyl]acetamide
• SMILES: CC(C)Oc1ccc(-c2cn3c(n2)CCC3)cc1CN(CC1CC1)C(=O)Cc1ccc(Cl)c(Cl)c1
• InChI: InChI=1S/C28H31Cl2N3O2/c1-18(2)35-26-10-8-21(25-17-32-11-3-4-27(32)31-25)14-22(26)16-33(15-19-5-6-19)28(34)13-20-7-9-23(29)24(30)12-20/h7-10,12,14,17-19H,3-6,11,13,15-16H2,1-2H3
• InChIKey: WDTUWBJQTSAVHL-UHFFFAOYSA-N
• XLogP: 6.57
• TPSA: 47.36 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	512.48
LogP ≤ 5	6.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-(3,4-dichlorophenyl)-N-[[5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-propan-2-yloxyphenyl]methyl]acetamide?

The IUPAC name of N-(cyclopropylmethyl)-2-(3,4-dichlorophenyl)-N-[[5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-propan-2-yloxyphenyl]methyl]acetamide (CID 134369665) is N-(cyclopropylmethyl)-2-(3,4-dichlorophenyl)-N-[[5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-propan-2-yloxyphenyl]methyl]acetamide.

What is the SMILES notation for N-(cyclopropylmethyl)-2-(3,4-dichlorophenyl)-N-[[5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-propan-2-yloxyphenyl]methyl]acetamide?

The canonical SMILES for N-(cyclopropylmethyl)-2-(3,4-dichlorophenyl)-N-[[5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-propan-2-yloxyphenyl]methyl]acetamide is CC(C)Oc1ccc(-c2cn3c(n2)CCC3)cc1CN(CC1CC1)C(=O)Cc1ccc(Cl)c(Cl)c1.

What is the InChIKey of N-(cyclopropylmethyl)-2-(3,4-dichlorophenyl)-N-[[5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-propan-2-yloxyphenyl]methyl]acetamide?

The InChIKey is WDTUWBJQTSAVHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31Cl2N3O2/c1-18(2)35-26-10-8-21(25-17-32-11-3-4-27(32)31-25)14-22(26)16-33(15-19-5-6-19)28(34)13-20-7-9-23(29)24(30)12-20/h7-10,12,14,17-19H,3-6,11,13,15-16H2,1-2H3.

What are the key properties of N-(cyclopropylmethyl)-2-(3,4-dichlorophenyl)-N-[[5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-propan-2-yloxyphenyl]methyl]acetamide?

N-(cyclopropylmethyl)-2-(3,4-dichlorophenyl)-N-[[5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-propan-2-yloxyphenyl]methyl]acetamide has a molecular weight of 512.48 g/mol, XLogP of 6.57, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(cyclopropylmethyl)-2-(3,4-dichlorophenyl)-N-[[5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-propan-2-yloxyphenyl]methyl]acetamide is sourced from PubChem (CID 134369665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).