N-[3-(imidazol-1-ylmethyl)phenyl]-2-(2-methylphenyl)pyrrolidine-1-carboxamide

C22H24N4O — CID 47050883

IUPACN-[3-(imidazol-1-ylmethyl)phenyl]-2-(2-methylphenyl)pyrrolidine-1-carboxamide
SMILESCc1ccccc1C1CCCN1C(=O)Nc1cccc(Cn2ccnc2)c1
InChIInChI=1S/C22H24N4O/c1-17-6-2-3-9-20(17)21-10-5-12-26(21)22(27)24-19-8-4-7-18(14-19)15-25-13-11-23-16-25/h2-4,6-9,11,13-14,16,21H,5,10,12,15H2,1H3,(H,24,27)
InChIKeySJKFQQLRXHDAHO-UHFFFAOYSA-N
MW360.46 g/mol
LogP4.61
Rot. Bonds4

About N-[3-(imidazol-1-ylmethyl)phenyl]-2-(2-methylphenyl)pyrrolidine-1-carboxamide

N-[3-(imidazol-1-ylmethyl)phenyl]-2-(2-methylphenyl)pyrrolidine-1-carboxamide (PubChem CID 47050883) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is N-[3-(imidazol-1-ylmethyl)phenyl]-2-(2-methylphenyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[3-(imidazol-1-ylmethyl)phenyl]-2-(2-methylphenyl)pyrrolidine-1-carboxamide
PubChem CID47050883
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC NameN-[3-(imidazol-1-ylmethyl)phenyl]-2-(2-methylphenyl)pyrrolidine-1-carboxamide
SMILESCc1ccccc1C1CCCN1C(=O)Nc1cccc(Cn2ccnc2)c1
InChIInChI=1S/C22H24N4O/c1-17-6-2-3-9-20(17)21-10-5-12-26(21)22(27)24-19-8-4-7-18(14-19)15-25-13-11-23-16-25/h2-4,6-9,11,13-14,16,21H,5,10,12,15H2,1H3,(H,24,27)
InChIKeySJKFQQLRXHDAHO-UHFFFAOYSA-N
XLogP4.61
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(imidazol-1-ylmethyl)phenyl]-7,7-dimethyl-2-azabicyclo[4.1.1]octane-2-carboxamide
CID 155952060
2-(2-methylphenyl)-N-pyridin-4-ylpyrrolidine-1-carboxamide
CID 138993661
(2S)-2-(2-methylphenyl)-N-phenylpyrrolidine-1-carboxamide
CID 51856075
(2S)-2-(2-methylphenyl)-N-(4-methylphenyl)pyrrolidine-1-carboxamide
CID 51855883
(2S)-N-(3-methoxyphenyl)-2-(2-methylphenyl)pyrrolidine-1-carboxamide
CID 51856233
(2S)-2-(2-methylphenyl)-N-[3-(5-methyltetrazol-1-yl)phenyl]pyrrolidine-1-carboxamide
CID 94164440
2-(2-methylphenyl)-N-[3-(2-pyrazol-1-ylethoxy)phenyl]pyrrolidine-1-carboxamide
CID 55833259
(2R)-N-(3,4-dimethoxyphenyl)-2-(2-methylphenyl)pyrrolidine-1-carboxamide
CID 51856038
(1S,5S)-N-[3-(imidazol-1-ylmethyl)phenyl]-1-methyl-2-azabicyclo[3.2.0]heptane-2-carboxamide
CID 155959241
(2R)-N-(3-fluoro-4-pyrazol-1-ylphenyl)-2-(2-methylphenyl)pyrrolidine-1-carboxamide
CID 51963079
N-[3-(imidazol-1-ylmethyl)phenyl]-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide
CID 47043133
2-(2-chlorophenyl)-N-[3-(methoxymethyl)phenyl]pyrrolidine-1-carboxamide
CID 87010464

Frequently Asked Questions

What is the IUPAC name of N-[3-(imidazol-1-ylmethyl)phenyl]-2-(2-methylphenyl)pyrrolidine-1-carboxamide?
The IUPAC name of N-[3-(imidazol-1-ylmethyl)phenyl]-2-(2-methylphenyl)pyrrolidine-1-carboxamide (CID 47050883) is N-[3-(imidazol-1-ylmethyl)phenyl]-2-(2-methylphenyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[3-(imidazol-1-ylmethyl)phenyl]-2-(2-methylphenyl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-[3-(imidazol-1-ylmethyl)phenyl]-2-(2-methylphenyl)pyrrolidine-1-carboxamide is Cc1ccccc1C1CCCN1C(=O)Nc1cccc(Cn2ccnc2)c1.
What is the InChIKey of N-[3-(imidazol-1-ylmethyl)phenyl]-2-(2-methylphenyl)pyrrolidine-1-carboxamide?
The InChIKey is SJKFQQLRXHDAHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-17-6-2-3-9-20(17)21-10-5-12-26(21)22(27)24-19-8-4-7-18(14-19)15-25-13-11-23-16-25/h2-4,6-9,11,13-14,16,21H,5,10,12,15H2,1H3,(H,24,27).
What are the key properties of N-[3-(imidazol-1-ylmethyl)phenyl]-2-(2-methylphenyl)pyrrolidine-1-carboxamide?
N-[3-(imidazol-1-ylmethyl)phenyl]-2-(2-methylphenyl)pyrrolidine-1-carboxamide has a molecular weight of 360.46 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(imidazol-1-ylmethyl)phenyl]-2-(2-methylphenyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 47050883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).