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

C30H35N3O3 — CID 134369634

IUPACN-[[2-cyclopentyloxy-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-N-(cyclopropylmethyl)-3-methoxybenzamide
SMILESCOc1cccc(C(=O)N(Cc2cc(-c3cn4c(n3)CCC4)ccc2OC2CCCC2)CC2CC2)c1
InChIInChI=1S/C30H35N3O3/c1-35-26-9-4-6-23(17-26)30(34)33(18-21-11-12-21)19-24-16-22(27-20-32-15-5-10-29(32)31-27)13-14-28(24)36-25-7-2-3-8-25/h4,6,9,13-14,16-17,20-21,25H,2-3,5,7-8,10-12,15,18-19H2,1H3
InChIKeyJMNWEGBQSULBIP-UHFFFAOYSA-N
MW485.63 g/mol
LogP5.88
Rot. Bonds9

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

N-[[2-cyclopentyloxy-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-N-(cyclopropylmethyl)-3-methoxybenzamide (PubChem CID 134369634) has the molecular formula C30H35N3O3 and a molecular weight of 485.63 g/mol. Its IUPAC name is N-[[2-cyclopentyloxy-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-N-(cyclopropylmethyl)-3-methoxybenzamide.

Molecular Properties

Compound NameN-[[2-cyclopentyloxy-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-N-(cyclopropylmethyl)-3-methoxybenzamide
PubChem CID134369634
Molecular FormulaC30H35N3O3
Molecular Weight485.63 g/mol
Exact Mass485.27
IUPAC NameN-[[2-cyclopentyloxy-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-N-(cyclopropylmethyl)-3-methoxybenzamide
SMILESCOc1cccc(C(=O)N(Cc2cc(-c3cn4c(n3)CCC4)ccc2OC2CCCC2)CC2CC2)c1
InChIInChI=1S/C30H35N3O3/c1-35-26-9-4-6-23(17-26)30(34)33(18-21-11-12-21)19-24-16-22(27-20-32-15-5-10-29(32)31-27)13-14-28(24)36-25-7-2-3-8-25/h4,6,9,13-14,16-17,20-21,25H,2-3,5,7-8,10-12,15,18-19H2,1H3
InChIKeyJMNWEGBQSULBIP-UHFFFAOYSA-N
XLogP5.88
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.63
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[2-cyclopentyloxy-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-N-(cyclopropylmethyl)-3-methoxybenzamide?
The IUPAC name of N-[[2-cyclopentyloxy-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-N-(cyclopropylmethyl)-3-methoxybenzamide (CID 134369634) is N-[[2-cyclopentyloxy-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-N-(cyclopropylmethyl)-3-methoxybenzamide.
What is the SMILES notation for N-[[2-cyclopentyloxy-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-N-(cyclopropylmethyl)-3-methoxybenzamide?
The canonical SMILES for N-[[2-cyclopentyloxy-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-N-(cyclopropylmethyl)-3-methoxybenzamide is COc1cccc(C(=O)N(Cc2cc(-c3cn4c(n3)CCC4)ccc2OC2CCCC2)CC2CC2)c1.
What is the InChIKey of N-[[2-cyclopentyloxy-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-N-(cyclopropylmethyl)-3-methoxybenzamide?
The InChIKey is JMNWEGBQSULBIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N3O3/c1-35-26-9-4-6-23(17-26)30(34)33(18-21-11-12-21)19-24-16-22(27-20-32-15-5-10-29(32)31-27)13-14-28(24)36-25-7-2-3-8-25/h4,6,9,13-14,16-17,20-21,25H,2-3,5,7-8,10-12,15,18-19H2,1H3.
What are the key properties of N-[[2-cyclopentyloxy-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-N-(cyclopropylmethyl)-3-methoxybenzamide?
N-[[2-cyclopentyloxy-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-N-(cyclopropylmethyl)-3-methoxybenzamide has a molecular weight of 485.63 g/mol, XLogP of 5.88, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-cyclopentyloxy-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-N-(cyclopropylmethyl)-3-methoxybenzamide is sourced from PubChem (CID 134369634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).