1-[(4-chlorophenyl)methyl]-N-[(4-propan-2-yloxyphenyl)methyl]imidazole-2-carboxamide

C21H22ClN3O2 — CID 20964832

IUPAC1-[(4-chlorophenyl)methyl]-N-[(4-propan-2-yloxyphenyl)methyl]imidazole-2-carboxamide
SMILESCC(C)Oc1ccc(CNC(=O)c2nccn2Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C21H22ClN3O2/c1-15(2)27-19-9-5-16(6-10-19)13-24-21(26)20-23-11-12-25(20)14-17-3-7-18(22)8-4-17/h3-12,15H,13-14H2,1-2H3,(H,24,26)
InChIKeyVXNBIVBBMMQQBT-UHFFFAOYSA-N
MW383.88 g/mol
LogP4.30
Rot. Bonds7

About 1-[(4-chlorophenyl)methyl]-N-[(4-propan-2-yloxyphenyl)methyl]imidazole-2-carboxamide

1-[(4-chlorophenyl)methyl]-N-[(4-propan-2-yloxyphenyl)methyl]imidazole-2-carboxamide (PubChem CID 20964832) has the molecular formula C21H22ClN3O2 and a molecular weight of 383.88 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-N-[(4-propan-2-yloxyphenyl)methyl]imidazole-2-carboxamide.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-N-[(4-propan-2-yloxyphenyl)methyl]imidazole-2-carboxamide
PubChem CID20964832
Molecular FormulaC21H22ClN3O2
Molecular Weight383.88 g/mol
Exact Mass383.14
IUPAC Name1-[(4-chlorophenyl)methyl]-N-[(4-propan-2-yloxyphenyl)methyl]imidazole-2-carboxamide
SMILESCC(C)Oc1ccc(CNC(=O)c2nccn2Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C21H22ClN3O2/c1-15(2)27-19-9-5-16(6-10-19)13-24-21(26)20-23-11-12-25(20)14-17-3-7-18(22)8-4-17/h3-12,15H,13-14H2,1-2H3,(H,24,26)
InChIKeyVXNBIVBBMMQQBT-UHFFFAOYSA-N
XLogP4.30
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.88
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(4-chlorophenoxy)-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]propanamide
CID 92650949
5-[[(R)-(4-chlorophenyl)methylsulfinyl]methyl]-N-[(4-propan-2-yloxyphenyl)methyl]furan-2-carboxamide
CID 92687538
N-[(4-ethoxyphenyl)methyl]-4-propan-2-yloxybenzamide
CID 53282891
4-(2-methylpropoxy)-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
CID 43911075
3,5-dichloro-4-methoxy-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
CID 55588763
N-[(4-chlorophenyl)methyl]-3-(4-propan-2-yloxyphenyl)sulfonylpropanamide
CID 110298420
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
CID 48986640
2-(4-chlorophenyl)-N-[3-(4-propan-2-yloxyphenyl)propyl]acetamide
CID 50874755
4-oxo-N-[(4-propan-2-yloxyphenyl)methyl]pyrido[1,2-a]pyrimidine-3-carboxamide
CID 134057826
1-ethyl-N-[(4-propan-2-yloxyphenyl)methyl]-4-pyridin-4-ylpyrrole-2-carboxamide
CID 53159824
3-chloro-4-ethoxy-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
CID 100564569
2-methyl-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
CID 46592887

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-N-[(4-propan-2-yloxyphenyl)methyl]imidazole-2-carboxamide?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-N-[(4-propan-2-yloxyphenyl)methyl]imidazole-2-carboxamide (CID 20964832) is 1-[(4-chlorophenyl)methyl]-N-[(4-propan-2-yloxyphenyl)methyl]imidazole-2-carboxamide.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-N-[(4-propan-2-yloxyphenyl)methyl]imidazole-2-carboxamide?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-N-[(4-propan-2-yloxyphenyl)methyl]imidazole-2-carboxamide is CC(C)Oc1ccc(CNC(=O)c2nccn2Cc2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-N-[(4-propan-2-yloxyphenyl)methyl]imidazole-2-carboxamide?
The InChIKey is VXNBIVBBMMQQBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3O2/c1-15(2)27-19-9-5-16(6-10-19)13-24-21(26)20-23-11-12-25(20)14-17-3-7-18(22)8-4-17/h3-12,15H,13-14H2,1-2H3,(H,24,26).
What are the key properties of 1-[(4-chlorophenyl)methyl]-N-[(4-propan-2-yloxyphenyl)methyl]imidazole-2-carboxamide?
1-[(4-chlorophenyl)methyl]-N-[(4-propan-2-yloxyphenyl)methyl]imidazole-2-carboxamide has a molecular weight of 383.88 g/mol, XLogP of 4.30, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-N-[(4-propan-2-yloxyphenyl)methyl]imidazole-2-carboxamide is sourced from PubChem (CID 20964832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).