N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-(3-methylphenyl)piperazine-1-carboxamide

C24H29N5O2 — CID 55590525

IUPACN-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-(3-methylphenyl)piperazine-1-carboxamide
SMILESCOc1ccccc1C(NC(=O)N1CCN(c2cccc(C)c2)CC1)c1nccn1C
InChIInChI=1S/C24H29N5O2/c1-18-7-6-8-19(17-18)28-13-15-29(16-14-28)24(30)26-22(23-25-11-12-27(23)2)20-9-4-5-10-21(20)31-3/h4-12,17,22H,13-16H2,1-3H3,(H,26,30)
InChIKeyMDIWYGMKWVUFOV-UHFFFAOYSA-N
MW419.53 g/mol
LogP3.36
Rot. Bonds5

About N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-(3-methylphenyl)piperazine-1-carboxamide

N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-(3-methylphenyl)piperazine-1-carboxamide (PubChem CID 55590525) has the molecular formula C24H29N5O2 and a molecular weight of 419.53 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-(3-methylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-(3-methylphenyl)piperazine-1-carboxamide
PubChem CID55590525
Molecular FormulaC24H29N5O2
Molecular Weight419.53 g/mol
Exact Mass419.23
IUPAC NameN-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-(3-methylphenyl)piperazine-1-carboxamide
SMILESCOc1ccccc1C(NC(=O)N1CCN(c2cccc(C)c2)CC1)c1nccn1C
InChIInChI=1S/C24H29N5O2/c1-18-7-6-8-19(17-18)28-13-15-29(16-14-28)24(30)26-22(23-25-11-12-27(23)2)20-9-4-5-10-21(20)31-3/h4-12,17,22H,13-16H2,1-3H3,(H,26,30)
InChIKeyMDIWYGMKWVUFOV-UHFFFAOYSA-N
XLogP3.36
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-(1-pyridin-3-ylethyl)piperazine-1-carboxamide
CID 86953597
(E)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-(3-methylphenyl)prop-2-enamide
CID 24660535
N-[1-(2-methoxy-5-methylphenyl)ethyl]-4-phenylpiperazine-1-carboxamide
CID 51291225
N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidine-1-carboxamide
CID 86953714
2-cyclopentyl-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 47014735
3-fluoro-N-[(R)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 40939583
N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4,5-dimethylthiophene-2-carboxamide
CID 47014744
N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(4-methylphenyl)sulfanylacetamide
CID 51269487
4-fluoro-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 51269372
1-(4-methoxyphenyl)-N-[(R)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]cyclopropane-1-carboxamide
CID 95806841
N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]pyrazine-2-carboxamide
CID 16668817
1-(3-bromophenyl)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5-methyltriazole-4-carboxamide
CID 55870676

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-(3-methylphenyl)piperazine-1-carboxamide?
The IUPAC name of N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-(3-methylphenyl)piperazine-1-carboxamide (CID 55590525) is N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-(3-methylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-(3-methylphenyl)piperazine-1-carboxamide?
The canonical SMILES for N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-(3-methylphenyl)piperazine-1-carboxamide is COc1ccccc1C(NC(=O)N1CCN(c2cccc(C)c2)CC1)c1nccn1C.
What is the InChIKey of N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-(3-methylphenyl)piperazine-1-carboxamide?
The InChIKey is MDIWYGMKWVUFOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O2/c1-18-7-6-8-19(17-18)28-13-15-29(16-14-28)24(30)26-22(23-25-11-12-27(23)2)20-9-4-5-10-21(20)31-3/h4-12,17,22H,13-16H2,1-3H3,(H,26,30).
What are the key properties of N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-(3-methylphenyl)piperazine-1-carboxamide?
N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-(3-methylphenyl)piperazine-1-carboxamide has a molecular weight of 419.53 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-(3-methylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 55590525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).