N-(2-methoxy-5-methylphenyl)-2-[(2-methylimidazol-1-yl)methyl]pyrrolidine-1-carboxamide

C18H24N4O2 — CID 136512978

IUPACN-(2-methoxy-5-methylphenyl)-2-[(2-methylimidazol-1-yl)methyl]pyrrolidine-1-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)N1CCCC1Cn1ccnc1C
InChIInChI=1S/C18H24N4O2/c1-13-6-7-17(24-3)16(11-13)20-18(23)22-9-4-5-15(22)12-21-10-8-19-14(21)2/h6-8,10-11,15H,4-5,9,12H2,1-3H3,(H,20,23)
InChIKeySCHMPAXKARWKSF-UHFFFAOYSA-N
MW328.42 g/mol
LogP3.21
Rot. Bonds4

About N-(2-methoxy-5-methylphenyl)-2-[(2-methylimidazol-1-yl)methyl]pyrrolidine-1-carboxamide

N-(2-methoxy-5-methylphenyl)-2-[(2-methylimidazol-1-yl)methyl]pyrrolidine-1-carboxamide (PubChem CID 136512978) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is N-(2-methoxy-5-methylphenyl)-2-[(2-methylimidazol-1-yl)methyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-methoxy-5-methylphenyl)-2-[(2-methylimidazol-1-yl)methyl]pyrrolidine-1-carboxamide
PubChem CID136512978
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC NameN-(2-methoxy-5-methylphenyl)-2-[(2-methylimidazol-1-yl)methyl]pyrrolidine-1-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)N1CCCC1Cn1ccnc1C
InChIInChI=1S/C18H24N4O2/c1-13-6-7-17(24-3)16(11-13)20-18(23)22-9-4-5-15(22)12-21-10-8-19-14(21)2/h6-8,10-11,15H,4-5,9,12H2,1-3H3,(H,20,23)
InChIKeySCHMPAXKARWKSF-UHFFFAOYSA-N
XLogP3.21
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-4-[(2-methylimidazol-1-yl)methyl]piperidine-1-carboxamide
CID 71781145
N-(2-methoxyphenyl)-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide
CID 118766454
(2S)-2-(4-chlorophenyl)-N-(2-methoxy-5-methylphenyl)pyrrolidine-1-carboxamide
CID 51856616
(2S)-N-(2-methoxy-5-methylphenyl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
CID 94139300
(2S)-N-(5-bromo-2-methoxyphenyl)-2-ethylpiperidine-1-carboxamide
CID 97313947
(2R)-N-(2-methoxyphenyl)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide
CID 95045652
N-(2,5-dimethoxyphenyl)-2-[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]acetamide
CID 90494656
4-(2-ethylpiperidine-1-carbonyl)-N-(2-methoxy-5-methylphenyl)cyclohexane-1-carboxamide
CID 109150023
3-amino-2-methyl-1-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]butan-1-one;dihydrochloride
CID 120504283
N-(2-methoxy-5-methylphenyl)-2-[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]acetamide
CID 94824962
1-(2-ethylpiperidine-1-carbonyl)-N-(2-methoxy-5-methylphenyl)cyclopropane-1-carboxamide
CID 108980063
(2R)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-[(2-methylimidazol-1-yl)methyl]pyrrolidine-1-carboxamide
CID 124608611

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-methylphenyl)-2-[(2-methylimidazol-1-yl)methyl]pyrrolidine-1-carboxamide?
The IUPAC name of N-(2-methoxy-5-methylphenyl)-2-[(2-methylimidazol-1-yl)methyl]pyrrolidine-1-carboxamide (CID 136512978) is N-(2-methoxy-5-methylphenyl)-2-[(2-methylimidazol-1-yl)methyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(2-methoxy-5-methylphenyl)-2-[(2-methylimidazol-1-yl)methyl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-(2-methoxy-5-methylphenyl)-2-[(2-methylimidazol-1-yl)methyl]pyrrolidine-1-carboxamide is COc1ccc(C)cc1NC(=O)N1CCCC1Cn1ccnc1C.
What is the InChIKey of N-(2-methoxy-5-methylphenyl)-2-[(2-methylimidazol-1-yl)methyl]pyrrolidine-1-carboxamide?
The InChIKey is SCHMPAXKARWKSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-13-6-7-17(24-3)16(11-13)20-18(23)22-9-4-5-15(22)12-21-10-8-19-14(21)2/h6-8,10-11,15H,4-5,9,12H2,1-3H3,(H,20,23).
What are the key properties of N-(2-methoxy-5-methylphenyl)-2-[(2-methylimidazol-1-yl)methyl]pyrrolidine-1-carboxamide?
N-(2-methoxy-5-methylphenyl)-2-[(2-methylimidazol-1-yl)methyl]pyrrolidine-1-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-methylphenyl)-2-[(2-methylimidazol-1-yl)methyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 136512978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).