N-[4-(cyclopropylmethyl)-5-(4-methoxyphenyl)-1-methylimidazol-2-yl]-4-methoxybenzamide

C23H25N3O3 — CID 126744125

IUPACN-[4-(cyclopropylmethyl)-5-(4-methoxyphenyl)-1-methylimidazol-2-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2nc(CC3CC3)c(-c3ccc(OC)cc3)n2C)cc1
InChIInChI=1S/C23H25N3O3/c1-26-21(16-6-10-18(28-2)11-7-16)20(14-15-4-5-15)24-23(26)25-22(27)17-8-12-19(29-3)13-9-17/h6-13,15H,4-5,14H2,1-3H3,(H,24,25,27)
InChIKeyIGTHOMLPYYXOHY-UHFFFAOYSA-N
MW391.47 g/mol
LogP4.31
Rot. Bonds7

About N-[4-(cyclopropylmethyl)-5-(4-methoxyphenyl)-1-methylimidazol-2-yl]-4-methoxybenzamide

N-[4-(cyclopropylmethyl)-5-(4-methoxyphenyl)-1-methylimidazol-2-yl]-4-methoxybenzamide (PubChem CID 126744125) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is N-[4-(cyclopropylmethyl)-5-(4-methoxyphenyl)-1-methylimidazol-2-yl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[4-(cyclopropylmethyl)-5-(4-methoxyphenyl)-1-methylimidazol-2-yl]-4-methoxybenzamide
PubChem CID126744125
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC NameN-[4-(cyclopropylmethyl)-5-(4-methoxyphenyl)-1-methylimidazol-2-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2nc(CC3CC3)c(-c3ccc(OC)cc3)n2C)cc1
InChIInChI=1S/C23H25N3O3/c1-26-21(16-6-10-18(28-2)11-7-16)20(14-15-4-5-15)24-23(26)25-22(27)17-8-12-19(29-3)13-9-17/h6-13,15H,4-5,14H2,1-3H3,(H,24,25,27)
InChIKeyIGTHOMLPYYXOHY-UHFFFAOYSA-N
XLogP4.31
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(cyclopropylmethyl)-5-(4-methoxyphenyl)-1-methylimidazol-2-yl]-4-methoxybenzamide?
The IUPAC name of N-[4-(cyclopropylmethyl)-5-(4-methoxyphenyl)-1-methylimidazol-2-yl]-4-methoxybenzamide (CID 126744125) is N-[4-(cyclopropylmethyl)-5-(4-methoxyphenyl)-1-methylimidazol-2-yl]-4-methoxybenzamide.
What is the SMILES notation for N-[4-(cyclopropylmethyl)-5-(4-methoxyphenyl)-1-methylimidazol-2-yl]-4-methoxybenzamide?
The canonical SMILES for N-[4-(cyclopropylmethyl)-5-(4-methoxyphenyl)-1-methylimidazol-2-yl]-4-methoxybenzamide is COc1ccc(C(=O)Nc2nc(CC3CC3)c(-c3ccc(OC)cc3)n2C)cc1.
What is the InChIKey of N-[4-(cyclopropylmethyl)-5-(4-methoxyphenyl)-1-methylimidazol-2-yl]-4-methoxybenzamide?
The InChIKey is IGTHOMLPYYXOHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-26-21(16-6-10-18(28-2)11-7-16)20(14-15-4-5-15)24-23(26)25-22(27)17-8-12-19(29-3)13-9-17/h6-13,15H,4-5,14H2,1-3H3,(H,24,25,27).
What are the key properties of N-[4-(cyclopropylmethyl)-5-(4-methoxyphenyl)-1-methylimidazol-2-yl]-4-methoxybenzamide?
N-[4-(cyclopropylmethyl)-5-(4-methoxyphenyl)-1-methylimidazol-2-yl]-4-methoxybenzamide has a molecular weight of 391.47 g/mol, XLogP of 4.31, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyclopropylmethyl)-5-(4-methoxyphenyl)-1-methylimidazol-2-yl]-4-methoxybenzamide is sourced from PubChem (CID 126744125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).