2-(1H-imidazol-2-yl)-N-phenylpyrrolidine-1-carboxamide

C14H16N4O — CID 75401483

IUPAC2-(1H-imidazol-2-yl)-N-phenylpyrrolidine-1-carboxamide
SMILESO=C(Nc1ccccc1)N1CCCC1c1ncc[nH]1
InChIInChI=1S/C14H16N4O/c19-14(17-11-5-2-1-3-6-11)18-10-4-7-12(18)13-15-8-9-16-13/h1-3,5-6,8-9,12H,4,7,10H2,(H,15,16)(H,17,19)
InChIKeyNGJIUZWEUUVXAW-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.78
Rot. Bonds2

About 2-(1H-imidazol-2-yl)-N-phenylpyrrolidine-1-carboxamide

2-(1H-imidazol-2-yl)-N-phenylpyrrolidine-1-carboxamide (PubChem CID 75401483) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 2-(1H-imidazol-2-yl)-N-phenylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-(1H-imidazol-2-yl)-N-phenylpyrrolidine-1-carboxamide
PubChem CID75401483
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name2-(1H-imidazol-2-yl)-N-phenylpyrrolidine-1-carboxamide
SMILESO=C(Nc1ccccc1)N1CCCC1c1ncc[nH]1
InChIInChI=1S/C14H16N4O/c19-14(17-11-5-2-1-3-6-11)18-10-4-7-12(18)13-15-8-9-16-13/h1-3,5-6,8-9,12H,4,7,10H2,(H,15,16)(H,17,19)
InChIKeyNGJIUZWEUUVXAW-UHFFFAOYSA-N
XLogP2.78
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1H-imidazol-2-yl)-N-(4-methoxyphenyl)piperidine-1-carboxamide
CID 51107826
2-(1H-imidazol-2-yl)-N-(1-pyridin-2-ylpyrazol-4-yl)piperidine-1-carboxamide
CID 86778865
(2S)-N-[2-[ethyl(methyl)amino]phenyl]-2-(1H-imidazol-2-yl)piperidine-1-carboxamide
CID 97028237
2-(1H-benzimidazol-2-yl)-N-pyridin-4-ylpyrrolidine-1-carboxamide
CID 138993592
(2S)-2-(2-methylphenyl)-N-phenylpyrrolidine-1-carboxamide
CID 51856075
2-(1H-imidazol-2-yl)-N-(3-methyl-4-nitrophenyl)piperidine-1-carboxamide
CID 86796873
(2S)-2-(1H-imidazol-2-yl)-N-(2-methyl-1,3-benzoxazol-6-yl)piperidine-1-carboxamide
CID 97054065
2-(1H-imidazol-2-yl)-N-(2-methylquinolin-8-yl)piperidine-1-carboxamide
CID 71972132
N-(4-chlorophenyl)-2-pyridin-2-ylpyrrolidine-1-carboxamide
CID 110874700
(2R)-2-(2-ethylpyrazol-3-yl)-N-phenylpyrrolidine-1-carboxamide
CID 51612994
2-(1H-imidazol-2-yl)-N-(3-methyl-1,2-thiazol-5-yl)piperidine-1-carboxamide
CID 71856052
(2S)-2-(1H-imidazol-2-yl)-N-(3-methyl-1,2-thiazol-5-yl)piperidine-1-carboxamide
CID 97005000

Frequently Asked Questions

What is the IUPAC name of 2-(1H-imidazol-2-yl)-N-phenylpyrrolidine-1-carboxamide?
The IUPAC name of 2-(1H-imidazol-2-yl)-N-phenylpyrrolidine-1-carboxamide (CID 75401483) is 2-(1H-imidazol-2-yl)-N-phenylpyrrolidine-1-carboxamide.
What is the SMILES notation for 2-(1H-imidazol-2-yl)-N-phenylpyrrolidine-1-carboxamide?
The canonical SMILES for 2-(1H-imidazol-2-yl)-N-phenylpyrrolidine-1-carboxamide is O=C(Nc1ccccc1)N1CCCC1c1ncc[nH]1.
What is the InChIKey of 2-(1H-imidazol-2-yl)-N-phenylpyrrolidine-1-carboxamide?
The InChIKey is NGJIUZWEUUVXAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c19-14(17-11-5-2-1-3-6-11)18-10-4-7-12(18)13-15-8-9-16-13/h1-3,5-6,8-9,12H,4,7,10H2,(H,15,16)(H,17,19).
What are the key properties of 2-(1H-imidazol-2-yl)-N-phenylpyrrolidine-1-carboxamide?
2-(1H-imidazol-2-yl)-N-phenylpyrrolidine-1-carboxamide has a molecular weight of 256.31 g/mol, XLogP of 2.78, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-imidazol-2-yl)-N-phenylpyrrolidine-1-carboxamide is sourced from PubChem (CID 75401483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).