(2R,3R)-1,2-dimethyl-N-[[5-(4-methylphenyl)-1H-imidazol-2-yl]methyl]pyrrolidine-3-carboxamide

C18H24N4O — CID 139017853

IUPAC(2R,3R)-1,2-dimethyl-N-[[5-(4-methylphenyl)-1H-imidazol-2-yl]methyl]pyrrolidine-3-carboxamide
SMILESCc1ccc(-c2cnc(CNC(=O)[C@@H]3CCN(C)[C@@H]3C)[nH]2)cc1
InChIInChI=1S/C18H24N4O/c1-12-4-6-14(7-5-12)16-10-19-17(21-16)11-20-18(23)15-8-9-22(3)13(15)2/h4-7,10,13,15H,8-9,11H2,1-3H3,(H,19,21)(H,20,23)/t13-,15-/m1/s1
InChIKeyWGWOLOITZOIHHL-UKRRQHHQSA-N
MW312.42 g/mol
LogP2.34
Rot. Bonds4

About (2R,3R)-1,2-dimethyl-N-[[5-(4-methylphenyl)-1H-imidazol-2-yl]methyl]pyrrolidine-3-carboxamide

(2R,3R)-1,2-dimethyl-N-[[5-(4-methylphenyl)-1H-imidazol-2-yl]methyl]pyrrolidine-3-carboxamide (PubChem CID 139017853) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is (2R,3R)-1,2-dimethyl-N-[[5-(4-methylphenyl)-1H-imidazol-2-yl]methyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(2R,3R)-1,2-dimethyl-N-[[5-(4-methylphenyl)-1H-imidazol-2-yl]methyl]pyrrolidine-3-carboxamide
PubChem CID139017853
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name(2R,3R)-1,2-dimethyl-N-[[5-(4-methylphenyl)-1H-imidazol-2-yl]methyl]pyrrolidine-3-carboxamide
SMILESCc1ccc(-c2cnc(CNC(=O)[C@@H]3CCN(C)[C@@H]3C)[nH]2)cc1
InChIInChI=1S/C18H24N4O/c1-12-4-6-14(7-5-12)16-10-19-17(21-16)11-20-18(23)15-8-9-22(3)13(15)2/h4-7,10,13,15H,8-9,11H2,1-3H3,(H,19,21)(H,20,23)/t13-,15-/m1/s1
InChIKeyWGWOLOITZOIHHL-UKRRQHHQSA-N
XLogP2.34
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenyl-N-[(5-phenyl-1H-imidazol-2-yl)methyl]cyclopentane-1-carboxamide
CID 126817370
trans-(1R,2R)-2-methyl-N-[3-oxo-3-[(5-phenyl-1H-imidazol-2-yl)methylamino]propyl]cyclopropane-1-carboxamide
CID 94391582
2-[[[(2R,3R)-1,2-dimethylpyrrolidine-3-carbonyl]amino]methyl]-1,3-oxazole-4-carboxamide
CID 131961498
(3aS,6aR)-N-[[5-(3-methylphenyl)-1H-imidazol-2-yl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide
CID 166308946
[5-(4-bromophenyl)-1H-imidazol-2-yl]methylurea
CID 143516652
(2R)-2-(cyclopropylmethoxy)-N-[(5-phenyl-1H-imidazol-2-yl)methyl]propanamide
CID 94391575
[5-(3,4-dichlorophenyl)-1H-imidazol-2-yl]methylcarbamic acid
CID 143516405
1-(1-hydroxyethyl)-N-[[5-[4-[4-[2-[[1-[1-(1-hydroxyethyl)cyclopropyl]ethenylamino]methyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]methyl]cyclopropane-1-carboxamide
CID 134421366
(3S)-N-[(5-phenyl-1H-imidazol-2-yl)methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 94812085
[4-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1H-imidazol-5-yl]phenyl]carbamic acid
CID 141211064
1-[5-(4-cyclohexylphenyl)-1H-imidazol-2-yl]-N-methylmethanamine
CID 82305684
tert-butyl N-[[5-(4-methylsulfanylphenyl)-1H-imidazol-2-yl]methyl]carbamate
CID 102970557

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-1,2-dimethyl-N-[[5-(4-methylphenyl)-1H-imidazol-2-yl]methyl]pyrrolidine-3-carboxamide?
The IUPAC name of (2R,3R)-1,2-dimethyl-N-[[5-(4-methylphenyl)-1H-imidazol-2-yl]methyl]pyrrolidine-3-carboxamide (CID 139017853) is (2R,3R)-1,2-dimethyl-N-[[5-(4-methylphenyl)-1H-imidazol-2-yl]methyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (2R,3R)-1,2-dimethyl-N-[[5-(4-methylphenyl)-1H-imidazol-2-yl]methyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (2R,3R)-1,2-dimethyl-N-[[5-(4-methylphenyl)-1H-imidazol-2-yl]methyl]pyrrolidine-3-carboxamide is Cc1ccc(-c2cnc(CNC(=O)[C@@H]3CCN(C)[C@@H]3C)[nH]2)cc1.
What is the InChIKey of (2R,3R)-1,2-dimethyl-N-[[5-(4-methylphenyl)-1H-imidazol-2-yl]methyl]pyrrolidine-3-carboxamide?
The InChIKey is WGWOLOITZOIHHL-UKRRQHHQSA-N. The full InChI is InChI=1S/C18H24N4O/c1-12-4-6-14(7-5-12)16-10-19-17(21-16)11-20-18(23)15-8-9-22(3)13(15)2/h4-7,10,13,15H,8-9,11H2,1-3H3,(H,19,21)(H,20,23)/t13-,15-/m1/s1.
What are the key properties of (2R,3R)-1,2-dimethyl-N-[[5-(4-methylphenyl)-1H-imidazol-2-yl]methyl]pyrrolidine-3-carboxamide?
(2R,3R)-1,2-dimethyl-N-[[5-(4-methylphenyl)-1H-imidazol-2-yl]methyl]pyrrolidine-3-carboxamide has a molecular weight of 312.42 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-1,2-dimethyl-N-[[5-(4-methylphenyl)-1H-imidazol-2-yl]methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 139017853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).