N-(5-fluoro-1-methylbenzimidazol-2-yl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide

C21H21FN4O2 — CID 126784134

IUPACN-(5-fluoro-1-methylbenzimidazol-2-yl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
SMILESCc1ccc(CN2C(=O)CCC2C(=O)Nc2nc3cc(F)ccc3n2C)cc1
InChIInChI=1S/C21H21FN4O2/c1-13-3-5-14(6-4-13)12-26-18(9-10-19(26)27)20(28)24-21-23-16-11-15(22)7-8-17(16)25(21)2/h3-8,11,18H,9-10,12H2,1-2H3,(H,23,24,28)
InChIKeyRXWCLOJOBRGMTM-UHFFFAOYSA-N
MW380.42 g/mol
LogP3.15
Rot. Bonds4

About N-(5-fluoro-1-methylbenzimidazol-2-yl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide

N-(5-fluoro-1-methylbenzimidazol-2-yl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide (PubChem CID 126784134) has the molecular formula C21H21FN4O2 and a molecular weight of 380.42 g/mol. Its IUPAC name is N-(5-fluoro-1-methylbenzimidazol-2-yl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(5-fluoro-1-methylbenzimidazol-2-yl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
PubChem CID126784134
Molecular FormulaC21H21FN4O2
Molecular Weight380.42 g/mol
Exact Mass380.16
IUPAC NameN-(5-fluoro-1-methylbenzimidazol-2-yl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
SMILESCc1ccc(CN2C(=O)CCC2C(=O)Nc2nc3cc(F)ccc3n2C)cc1
InChIInChI=1S/C21H21FN4O2/c1-13-3-5-14(6-4-13)12-26-18(9-10-19(26)27)20(28)24-21-23-16-11-15(22)7-8-17(16)25(21)2/h3-8,11,18H,9-10,12H2,1-2H3,(H,23,24,28)
InChIKeyRXWCLOJOBRGMTM-UHFFFAOYSA-N
XLogP3.15
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloro-2-pyridinyl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 71995121
(2R)-N-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 124514063
2-[3-[[(2S)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carbonyl]amino]pyrazol-1-yl]acetic acid
CID 125154053
(2S)-2-[[1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carbonyl]amino]propanoic acid
CID 119238214
N-(5-cyano-2-pyridinyl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 71987288
3-amino-N-(5-fluoro-1-methylbenzimidazol-2-yl)propanamide
CID 119342267
1-benzyl-N-(4-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-2-carboxamide
CID 110674300
N-[2-(ethylamino)ethyl]-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide;hydrochloride
CID 119507676
3-amino-N-(5-fluoro-1-methylbenzimidazol-2-yl)cyclohexane-1-carboxamide;hydrochloride
CID 119816279
1-benzyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-5-oxopyrrolidine-2-carboxamide
CID 110412225
1-benzyl-N-(4-ethylphenyl)-5-oxopyrrolidine-2-carboxamide
CID 110387648
1-[(4-fluorophenyl)methyl]-6-oxo-N-pyridin-4-ylpiperidine-2-carboxamide
CID 163358258

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-1-methylbenzimidazol-2-yl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of N-(5-fluoro-1-methylbenzimidazol-2-yl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide (CID 126784134) is N-(5-fluoro-1-methylbenzimidazol-2-yl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for N-(5-fluoro-1-methylbenzimidazol-2-yl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for N-(5-fluoro-1-methylbenzimidazol-2-yl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide is Cc1ccc(CN2C(=O)CCC2C(=O)Nc2nc3cc(F)ccc3n2C)cc1.
What is the InChIKey of N-(5-fluoro-1-methylbenzimidazol-2-yl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide?
The InChIKey is RXWCLOJOBRGMTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O2/c1-13-3-5-14(6-4-13)12-26-18(9-10-19(26)27)20(28)24-21-23-16-11-15(22)7-8-17(16)25(21)2/h3-8,11,18H,9-10,12H2,1-2H3,(H,23,24,28).
What are the key properties of N-(5-fluoro-1-methylbenzimidazol-2-yl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide?
N-(5-fluoro-1-methylbenzimidazol-2-yl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide has a molecular weight of 380.42 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-1-methylbenzimidazol-2-yl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 126784134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).