1-benzyl-N-(4-fluorophenyl)-2-methyl-N-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]imidazole-4-carboxamide

C28H29FN6O — CID 90921112

IUPAC1-benzyl-N-(4-fluorophenyl)-2-methyl-N-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]imidazole-4-carboxamide
SMILESCc1nc(C(=O)N(Cc2cnc(N3CCCCC3)nc2)c2ccc(F)cc2)cn1Cc1ccccc1
InChIInChI=1S/C28H29FN6O/c1-21-32-26(20-34(21)18-22-8-4-2-5-9-22)27(36)35(25-12-10-24(29)11-13-25)19-23-16-30-28(31-17-23)33-14-6-3-7-15-33/h2,4-5,8-13,16-17,20H,3,6-7,14-15,18-19H2,1H3
InChIKeyIYAYIBPQEPORLS-UHFFFAOYSA-N
MW484.58 g/mol
LogP5.01
Rot. Bonds7

About 1-benzyl-N-(4-fluorophenyl)-2-methyl-N-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]imidazole-4-carboxamide

1-benzyl-N-(4-fluorophenyl)-2-methyl-N-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]imidazole-4-carboxamide (PubChem CID 90921112) has the molecular formula C28H29FN6O and a molecular weight of 484.58 g/mol. Its IUPAC name is 1-benzyl-N-(4-fluorophenyl)-2-methyl-N-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]imidazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-(4-fluorophenyl)-2-methyl-N-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]imidazole-4-carboxamide
PubChem CID90921112
Molecular FormulaC28H29FN6O
Molecular Weight484.58 g/mol
Exact Mass484.24
IUPAC Name1-benzyl-N-(4-fluorophenyl)-2-methyl-N-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]imidazole-4-carboxamide
SMILESCc1nc(C(=O)N(Cc2cnc(N3CCCCC3)nc2)c2ccc(F)cc2)cn1Cc1ccccc1
InChIInChI=1S/C28H29FN6O/c1-21-32-26(20-34(21)18-22-8-4-2-5-9-22)27(36)35(25-12-10-24(29)11-13-25)19-23-16-30-28(31-17-23)33-14-6-3-7-15-33/h2,4-5,8-13,16-17,20H,3,6-7,14-15,18-19H2,1H3
InChIKeyIYAYIBPQEPORLS-UHFFFAOYSA-N
XLogP5.01
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.58
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-benzyl-N-[[2-(diethylamino)-1,3-thiazol-4-yl]methyl]-N-(4-fluorophenyl)-2-methylimidazole-4-carboxamide
CID 91145519
2-(azepan-1-yl)-N-benzyl-N-phenylpyrimidine-5-carboxamide
CID 109265025
2-(azepan-1-yl)-N-ethyl-N-phenylpyrimidine-5-carboxamide
CID 109264971
1-benzyl-N-[[6-(diethylamino)-3-pyridinyl]methyl]-N-(4-fluorophenyl)triazole-4-carboxamide
CID 25057379
N-benzyl-N-ethyl-2-piperidin-1-ylpyrimidine-5-carboxamide
CID 109250116
N-benzyl-3-ethyl-N-(4-fluorophenyl)triazole-4-carboxamide
CID 166387772
1-benzyl-N-(4-fluorophenyl)-N-[[6-(1-phenylpropyl)-3-pyridinyl]methyl]triazole-4-carboxamide
CID 70298887
N-benzyl-N-propan-2-yl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
CID 109249433
2-(azepan-1-yl)-N-benzyl-N-methylpyrimidine-4-carboxamide
CID 109305153
1-[(4-chlorophenyl)methyl]-N-(4-fluorophenyl)-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]imidazole-4-carboxamide
CID 90693440
4-[1-(4-fluorophenyl)cyclopentyl]-N-methyl-N-(2-phenylethyl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
CID 161120554
N-benzyl-4-fluoro-N-(4-methoxyphenyl)benzamide
CID 3724237

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(4-fluorophenyl)-2-methyl-N-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]imidazole-4-carboxamide?
The IUPAC name of 1-benzyl-N-(4-fluorophenyl)-2-methyl-N-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]imidazole-4-carboxamide (CID 90921112) is 1-benzyl-N-(4-fluorophenyl)-2-methyl-N-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]imidazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-N-(4-fluorophenyl)-2-methyl-N-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]imidazole-4-carboxamide?
The canonical SMILES for 1-benzyl-N-(4-fluorophenyl)-2-methyl-N-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]imidazole-4-carboxamide is Cc1nc(C(=O)N(Cc2cnc(N3CCCCC3)nc2)c2ccc(F)cc2)cn1Cc1ccccc1.
What is the InChIKey of 1-benzyl-N-(4-fluorophenyl)-2-methyl-N-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]imidazole-4-carboxamide?
The InChIKey is IYAYIBPQEPORLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29FN6O/c1-21-32-26(20-34(21)18-22-8-4-2-5-9-22)27(36)35(25-12-10-24(29)11-13-25)19-23-16-30-28(31-17-23)33-14-6-3-7-15-33/h2,4-5,8-13,16-17,20H,3,6-7,14-15,18-19H2,1H3.
What are the key properties of 1-benzyl-N-(4-fluorophenyl)-2-methyl-N-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]imidazole-4-carboxamide?
1-benzyl-N-(4-fluorophenyl)-2-methyl-N-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]imidazole-4-carboxamide has a molecular weight of 484.58 g/mol, XLogP of 5.01, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(4-fluorophenyl)-2-methyl-N-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]imidazole-4-carboxamide is sourced from PubChem (CID 90921112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).