N-[[4-(dimethylamino)phenyl]-(1-methylimidazol-2-yl)methyl]-5-oxopyrrolidine-2-carboxamide

C18H23N5O2 — CID 110429518

IUPACN-[[4-(dimethylamino)phenyl]-(1-methylimidazol-2-yl)methyl]-5-oxopyrrolidine-2-carboxamide
SMILESCN(C)c1ccc(C(NC(=O)C2CCC(=O)N2)c2nccn2C)cc1
InChIInChI=1S/C18H23N5O2/c1-22(2)13-6-4-12(5-7-13)16(17-19-10-11-23(17)3)21-18(25)14-8-9-15(24)20-14/h4-7,10-11,14,16H,8-9H2,1-3H3,(H,20,24)(H,21,25)
InChIKeyNBQLXDDZLGCKDL-UHFFFAOYSA-N
MW341.42 g/mol
LogP0.97
Rot. Bonds5

About N-[[4-(dimethylamino)phenyl]-(1-methylimidazol-2-yl)methyl]-5-oxopyrrolidine-2-carboxamide

N-[[4-(dimethylamino)phenyl]-(1-methylimidazol-2-yl)methyl]-5-oxopyrrolidine-2-carboxamide (PubChem CID 110429518) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is N-[[4-(dimethylamino)phenyl]-(1-methylimidazol-2-yl)methyl]-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)phenyl]-(1-methylimidazol-2-yl)methyl]-5-oxopyrrolidine-2-carboxamide
PubChem CID110429518
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC NameN-[[4-(dimethylamino)phenyl]-(1-methylimidazol-2-yl)methyl]-5-oxopyrrolidine-2-carboxamide
SMILESCN(C)c1ccc(C(NC(=O)C2CCC(=O)N2)c2nccn2C)cc1
InChIInChI=1S/C18H23N5O2/c1-22(2)13-6-4-12(5-7-13)16(17-19-10-11-23(17)3)21-18(25)14-8-9-15(24)20-14/h4-7,10-11,14,16H,8-9H2,1-3H3,(H,20,24)(H,21,25)
InChIKeyNBQLXDDZLGCKDL-UHFFFAOYSA-N
XLogP0.97
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-(dimethylamino)phenyl]-(1-methylimidazol-2-yl)methyl]cyclohexanecarboxamide
CID 110429513
2,2-dichloro-N-[[4-(dimethylamino)phenyl]-(1-methylimidazol-2-yl)methyl]acetamide
CID 110429514
4-(dimethylamino)-N-[(1-methylimidazol-2-yl)-(4-methylphenyl)methyl]benzamide
CID 110429568
N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]cyclobutanecarboxamide
CID 25341765
N-[[4-(dimethylamino)phenyl]-(1-methylimidazol-2-yl)methyl]pyridine-3-carboxamide
CID 110429479
N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]cyclobutanecarboxamide
CID 46528505
butyl N-[[4-(dimethylamino)phenyl]-(1-methylimidazol-2-yl)methyl]carbamate
CID 110429456
N-[[4-(dimethylamino)phenyl]-(1-methylimidazol-2-yl)methyl]-3-methylbenzamide
CID 110429573
N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]cyclohexanecarboxamide
CID 25406313
N-[(1-methylimidazol-2-yl)-phenylmethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 18103540
N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]cyclohexanecarboxamide
CID 25341826
(3R)-N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 39490029

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)phenyl]-(1-methylimidazol-2-yl)methyl]-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of N-[[4-(dimethylamino)phenyl]-(1-methylimidazol-2-yl)methyl]-5-oxopyrrolidine-2-carboxamide (CID 110429518) is N-[[4-(dimethylamino)phenyl]-(1-methylimidazol-2-yl)methyl]-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for N-[[4-(dimethylamino)phenyl]-(1-methylimidazol-2-yl)methyl]-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for N-[[4-(dimethylamino)phenyl]-(1-methylimidazol-2-yl)methyl]-5-oxopyrrolidine-2-carboxamide is CN(C)c1ccc(C(NC(=O)C2CCC(=O)N2)c2nccn2C)cc1.
What is the InChIKey of N-[[4-(dimethylamino)phenyl]-(1-methylimidazol-2-yl)methyl]-5-oxopyrrolidine-2-carboxamide?
The InChIKey is NBQLXDDZLGCKDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-22(2)13-6-4-12(5-7-13)16(17-19-10-11-23(17)3)21-18(25)14-8-9-15(24)20-14/h4-7,10-11,14,16H,8-9H2,1-3H3,(H,20,24)(H,21,25).
What are the key properties of N-[[4-(dimethylamino)phenyl]-(1-methylimidazol-2-yl)methyl]-5-oxopyrrolidine-2-carboxamide?
N-[[4-(dimethylamino)phenyl]-(1-methylimidazol-2-yl)methyl]-5-oxopyrrolidine-2-carboxamide has a molecular weight of 341.42 g/mol, XLogP of 0.97, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)phenyl]-(1-methylimidazol-2-yl)methyl]-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 110429518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).