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

C26H29N3O3 — CID 134369620

IUPACN-(cyclopropylmethyl)-N-[[5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-methoxyphenyl]methyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)N(Cc2cc(-c3cn4c(n3)CCC4)ccc2OC)CC2CC2)c1
InChIInChI=1S/C26H29N3O3/c1-31-22-6-3-5-20(14-22)26(30)29(15-18-8-9-18)16-21-13-19(10-11-24(21)32-2)23-17-28-12-4-7-25(28)27-23/h3,5-6,10-11,13-14,17-18H,4,7-9,12,15-16H2,1-2H3
InChIKeyYLEJBBJFQLXMGW-UHFFFAOYSA-N
MW431.54 g/mol
LogP4.57
Rot. Bonds8

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

N-(cyclopropylmethyl)-N-[[5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-methoxyphenyl]methyl]-3-methoxybenzamide (PubChem CID 134369620) has the molecular formula C26H29N3O3 and a molecular weight of 431.54 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-[[5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-methoxyphenyl]methyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-[[5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-methoxyphenyl]methyl]-3-methoxybenzamide
PubChem CID134369620
Molecular FormulaC26H29N3O3
Molecular Weight431.54 g/mol
Exact Mass431.22
IUPAC NameN-(cyclopropylmethyl)-N-[[5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-methoxyphenyl]methyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)N(Cc2cc(-c3cn4c(n3)CCC4)ccc2OC)CC2CC2)c1
InChIInChI=1S/C26H29N3O3/c1-31-22-6-3-5-20(14-22)26(30)29(15-18-8-9-18)16-21-13-19(10-11-24(21)32-2)23-17-28-12-4-7-25(28)27-23/h3,5-6,10-11,13-14,17-18H,4,7-9,12,15-16H2,1-2H3
InChIKeyYLEJBBJFQLXMGW-UHFFFAOYSA-N
XLogP4.57
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 54.57
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-methoxyphenyl]methyl]-3-methoxybenzamide?
The IUPAC name of N-(cyclopropylmethyl)-N-[[5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-methoxyphenyl]methyl]-3-methoxybenzamide (CID 134369620) is N-(cyclopropylmethyl)-N-[[5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-methoxyphenyl]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-methoxyphenyl]methyl]-3-methoxybenzamide?
The canonical SMILES for N-(cyclopropylmethyl)-N-[[5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-methoxyphenyl]methyl]-3-methoxybenzamide is COc1cccc(C(=O)N(Cc2cc(-c3cn4c(n3)CCC4)ccc2OC)CC2CC2)c1.
What is the InChIKey of N-(cyclopropylmethyl)-N-[[5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-methoxyphenyl]methyl]-3-methoxybenzamide?
The InChIKey is YLEJBBJFQLXMGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O3/c1-31-22-6-3-5-20(14-22)26(30)29(15-18-8-9-18)16-21-13-19(10-11-24(21)32-2)23-17-28-12-4-7-25(28)27-23/h3,5-6,10-11,13-14,17-18H,4,7-9,12,15-16H2,1-2H3.
What are the key properties of N-(cyclopropylmethyl)-N-[[5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-methoxyphenyl]methyl]-3-methoxybenzamide?
N-(cyclopropylmethyl)-N-[[5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-methoxyphenyl]methyl]-3-methoxybenzamide has a molecular weight of 431.54 g/mol, XLogP of 4.57, 8 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-methoxyphenyl]methyl]-3-methoxybenzamide is sourced from PubChem (CID 134369620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).