3-[(2-amino-5-oxo-4-phenyl-4-propylimidazol-1-yl)methyl]-N-[(5-chloro-2-pyridinyl)methyl]-N-methylbenzamide

C27H28ClN5O2 — CID 142387043

IUPAC3-[(2-amino-5-oxo-4-phenyl-4-propylimidazol-1-yl)methyl]-N-[(5-chloro-2-pyridinyl)methyl]-N-methylbenzamide
SMILESCCCC1(c2ccccc2)N=C(N)N(Cc2cccc(C(=O)N(C)Cc3ccc(Cl)cn3)c2)C1=O
InChIInChI=1S/C27H28ClN5O2/c1-3-14-27(21-10-5-4-6-11-21)25(35)33(26(29)31-27)17-19-8-7-9-20(15-19)24(34)32(2)18-23-13-12-22(28)16-30-23/h4-13,15-16H,3,14,17-18H2,1-2H3,(H2,29,31)
InChIKeyQXSXZOQAZDDUKA-UHFFFAOYSA-N
MW490.01 g/mol
LogP4.36
Rot. Bonds8

About 3-[(2-amino-5-oxo-4-phenyl-4-propylimidazol-1-yl)methyl]-N-[(5-chloro-2-pyridinyl)methyl]-N-methylbenzamide

3-[(2-amino-5-oxo-4-phenyl-4-propylimidazol-1-yl)methyl]-N-[(5-chloro-2-pyridinyl)methyl]-N-methylbenzamide (PubChem CID 142387043) has the molecular formula C27H28ClN5O2 and a molecular weight of 490.01 g/mol. Its IUPAC name is 3-[(2-amino-5-oxo-4-phenyl-4-propylimidazol-1-yl)methyl]-N-[(5-chloro-2-pyridinyl)methyl]-N-methylbenzamide.

Molecular Properties

Compound Name3-[(2-amino-5-oxo-4-phenyl-4-propylimidazol-1-yl)methyl]-N-[(5-chloro-2-pyridinyl)methyl]-N-methylbenzamide
PubChem CID142387043
Molecular FormulaC27H28ClN5O2
Molecular Weight490.01 g/mol
Exact Mass489.19
IUPAC Name3-[(2-amino-5-oxo-4-phenyl-4-propylimidazol-1-yl)methyl]-N-[(5-chloro-2-pyridinyl)methyl]-N-methylbenzamide
SMILESCCCC1(c2ccccc2)N=C(N)N(Cc2cccc(C(=O)N(C)Cc3ccc(Cl)cn3)c2)C1=O
InChIInChI=1S/C27H28ClN5O2/c1-3-14-27(21-10-5-4-6-11-21)25(35)33(26(29)31-27)17-19-8-7-9-20(15-19)24(34)32(2)18-23-13-12-22(28)16-30-23/h4-13,15-16H,3,14,17-18H2,1-2H3,(H2,29,31)
InChIKeyQXSXZOQAZDDUKA-UHFFFAOYSA-N
XLogP4.36
TPSA91.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.01
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-methyl-N-(1-phenylethyl)benzamide
CID 155059056
2-[[2-amino-4-(3-methylbutyl)-5-oxo-4-phenylimidazol-1-yl]methyl]-N-[(4-cyanophenyl)methyl]-N-methylpyridine-4-carboxamide
CID 146000138
2-[[2-amino-4-(2-methylpropyl)-5-oxo-4-phenylimidazol-1-yl]methyl]-N-[(4-cyanophenyl)methyl]-N-methylpyridine-4-carboxamide
CID 135163416
3-[[2-amino-4-[3-(3-chlorophenyl)phenyl]-4-methyl-5-oxoimidazol-1-yl]methyl]-N,N-dipropylbenzamide
CID 59386902
3-[[2-amino-4,4-bis(4-fluorophenyl)-5-oxoimidazol-1-yl]methyl]-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 135154313
5-[[2-amino-4-(2-methylpropyl)-5-oxo-4-phenylimidazol-1-yl]methyl]-2-chloro-N-[(4-cyanophenyl)methyl]-N-methylbenzamide
CID 146000137
3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(2-methylpropyl)benzamide
CID 59387439
5-[[(4R)-2-amino-4-(3-methylbutyl)-5-oxo-4-phenylimidazol-1-yl]methyl]-2-tert-butyl-N-methyl-N-(1-pyridin-4-ylethyl)benzamide
CID 137490679
3-[(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)methyl]-N,N-dimethylbenzamide
CID 52727040
2-amino-3-[[3-[amino(cyclopropylidene)methyl]phenyl]methyl]-5,5-diphenylimidazol-4-one
CID 89248264
N-[(5-chloro-2-methoxyphenyl)methyl]-3-[(1,3-dioxoisoindol-2-yl)methyl]-N-methylbenzamide
CID 55415973
3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-butan-2-ylbenzamide
CID 59387294

Frequently Asked Questions

What is the IUPAC name of 3-[(2-amino-5-oxo-4-phenyl-4-propylimidazol-1-yl)methyl]-N-[(5-chloro-2-pyridinyl)methyl]-N-methylbenzamide?
The IUPAC name of 3-[(2-amino-5-oxo-4-phenyl-4-propylimidazol-1-yl)methyl]-N-[(5-chloro-2-pyridinyl)methyl]-N-methylbenzamide (CID 142387043) is 3-[(2-amino-5-oxo-4-phenyl-4-propylimidazol-1-yl)methyl]-N-[(5-chloro-2-pyridinyl)methyl]-N-methylbenzamide.
What is the SMILES notation for 3-[(2-amino-5-oxo-4-phenyl-4-propylimidazol-1-yl)methyl]-N-[(5-chloro-2-pyridinyl)methyl]-N-methylbenzamide?
The canonical SMILES for 3-[(2-amino-5-oxo-4-phenyl-4-propylimidazol-1-yl)methyl]-N-[(5-chloro-2-pyridinyl)methyl]-N-methylbenzamide is CCCC1(c2ccccc2)N=C(N)N(Cc2cccc(C(=O)N(C)Cc3ccc(Cl)cn3)c2)C1=O.
What is the InChIKey of 3-[(2-amino-5-oxo-4-phenyl-4-propylimidazol-1-yl)methyl]-N-[(5-chloro-2-pyridinyl)methyl]-N-methylbenzamide?
The InChIKey is QXSXZOQAZDDUKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28ClN5O2/c1-3-14-27(21-10-5-4-6-11-21)25(35)33(26(29)31-27)17-19-8-7-9-20(15-19)24(34)32(2)18-23-13-12-22(28)16-30-23/h4-13,15-16H,3,14,17-18H2,1-2H3,(H2,29,31).
What are the key properties of 3-[(2-amino-5-oxo-4-phenyl-4-propylimidazol-1-yl)methyl]-N-[(5-chloro-2-pyridinyl)methyl]-N-methylbenzamide?
3-[(2-amino-5-oxo-4-phenyl-4-propylimidazol-1-yl)methyl]-N-[(5-chloro-2-pyridinyl)methyl]-N-methylbenzamide has a molecular weight of 490.01 g/mol, XLogP of 4.36, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-amino-5-oxo-4-phenyl-4-propylimidazol-1-yl)methyl]-N-[(5-chloro-2-pyridinyl)methyl]-N-methylbenzamide is sourced from PubChem (CID 142387043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).