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

C29H35N3O3 — CID 134369641

IUPACN-(cyclopropylmethyl)-N-[[5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-(2-methylpropoxy)phenyl]methyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)N(Cc2cc(-c3cn4c(n3)CCC4)ccc2OCC(C)C)CC2CC2)c1
InChIInChI=1S/C29H35N3O3/c1-20(2)19-35-27-12-11-22(26-18-31-13-5-8-28(31)30-26)14-24(27)17-32(16-21-9-10-21)29(33)23-6-4-7-25(15-23)34-3/h4,6-7,11-12,14-15,18,20-21H,5,8-10,13,16-17,19H2,1-3H3
InChIKeyCTFOZXHUPAUNDY-UHFFFAOYSA-N
MW473.62 g/mol
LogP5.59
Rot. Bonds10

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

N-(cyclopropylmethyl)-N-[[5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-(2-methylpropoxy)phenyl]methyl]-3-methoxybenzamide (PubChem CID 134369641) has the molecular formula C29H35N3O3 and a molecular weight of 473.62 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-[[5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-(2-methylpropoxy)phenyl]methyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-[[5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-(2-methylpropoxy)phenyl]methyl]-3-methoxybenzamide
PubChem CID134369641
Molecular FormulaC29H35N3O3
Molecular Weight473.62 g/mol
Exact Mass473.27
IUPAC NameN-(cyclopropylmethyl)-N-[[5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-(2-methylpropoxy)phenyl]methyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)N(Cc2cc(-c3cn4c(n3)CCC4)ccc2OCC(C)C)CC2CC2)c1
InChIInChI=1S/C29H35N3O3/c1-20(2)19-35-27-12-11-22(26-18-31-13-5-8-28(31)30-26)14-24(27)17-32(16-21-9-10-21)29(33)23-6-4-7-25(15-23)34-3/h4,6-7,11-12,14-15,18,20-21H,5,8-10,13,16-17,19H2,1-3H3
InChIKeyCTFOZXHUPAUNDY-UHFFFAOYSA-N
XLogP5.59
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.62
LogP ≤ 55.59
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-(2-methylpropoxy)phenyl]methyl]-3-methoxybenzamide?
The IUPAC name of N-(cyclopropylmethyl)-N-[[5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-(2-methylpropoxy)phenyl]methyl]-3-methoxybenzamide (CID 134369641) is N-(cyclopropylmethyl)-N-[[5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-(2-methylpropoxy)phenyl]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-(2-methylpropoxy)phenyl]methyl]-3-methoxybenzamide?
The canonical SMILES for N-(cyclopropylmethyl)-N-[[5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-(2-methylpropoxy)phenyl]methyl]-3-methoxybenzamide is COc1cccc(C(=O)N(Cc2cc(-c3cn4c(n3)CCC4)ccc2OCC(C)C)CC2CC2)c1.
What is the InChIKey of N-(cyclopropylmethyl)-N-[[5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-(2-methylpropoxy)phenyl]methyl]-3-methoxybenzamide?
The InChIKey is CTFOZXHUPAUNDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N3O3/c1-20(2)19-35-27-12-11-22(26-18-31-13-5-8-28(31)30-26)14-24(27)17-32(16-21-9-10-21)29(33)23-6-4-7-25(15-23)34-3/h4,6-7,11-12,14-15,18,20-21H,5,8-10,13,16-17,19H2,1-3H3.
What are the key properties of N-(cyclopropylmethyl)-N-[[5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-(2-methylpropoxy)phenyl]methyl]-3-methoxybenzamide?
N-(cyclopropylmethyl)-N-[[5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-(2-methylpropoxy)phenyl]methyl]-3-methoxybenzamide has a molecular weight of 473.62 g/mol, XLogP of 5.59, 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-(2-methylpropoxy)phenyl]methyl]-3-methoxybenzamide is sourced from PubChem (CID 134369641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).