(2S)-N,N-dimethyl-1-[2-[(4-methyl-1H-benzimidazol-2-yl)methoxy]acetyl]pyrrolidine-2-carboxamide

C18H24N4O3 — CID 95199283

IUPAC(2S)-N,N-dimethyl-1-[2-[(4-methyl-1H-benzimidazol-2-yl)methoxy]acetyl]pyrrolidine-2-carboxamide
SMILESCc1cccc2[nH]c(COCC(=O)N3CCC[C@H]3C(=O)N(C)C)nc12
InChIInChI=1S/C18H24N4O3/c1-12-6-4-7-13-17(12)20-15(19-13)10-25-11-16(23)22-9-5-8-14(22)18(24)21(2)3/h4,6-7,14H,5,8-11H2,1-3H3,(H,19,20)/t14-/m0/s1
InChIKeyGXKBJWNFVFPWRO-AWEZNQCLSA-N
MW344.42 g/mol
LogP1.47
Rot. Bonds5

About (2S)-N,N-dimethyl-1-[2-[(4-methyl-1H-benzimidazol-2-yl)methoxy]acetyl]pyrrolidine-2-carboxamide

(2S)-N,N-dimethyl-1-[2-[(4-methyl-1H-benzimidazol-2-yl)methoxy]acetyl]pyrrolidine-2-carboxamide (PubChem CID 95199283) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is (2S)-N,N-dimethyl-1-[2-[(4-methyl-1H-benzimidazol-2-yl)methoxy]acetyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N,N-dimethyl-1-[2-[(4-methyl-1H-benzimidazol-2-yl)methoxy]acetyl]pyrrolidine-2-carboxamide
PubChem CID95199283
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Name(2S)-N,N-dimethyl-1-[2-[(4-methyl-1H-benzimidazol-2-yl)methoxy]acetyl]pyrrolidine-2-carboxamide
SMILESCc1cccc2[nH]c(COCC(=O)N3CCC[C@H]3C(=O)N(C)C)nc12
InChIInChI=1S/C18H24N4O3/c1-12-6-4-7-13-17(12)20-15(19-13)10-25-11-16(23)22-9-5-8-14(22)18(24)21(2)3/h4,6-7,14H,5,8-11H2,1-3H3,(H,19,20)/t14-/m0/s1
InChIKeyGXKBJWNFVFPWRO-AWEZNQCLSA-N
XLogP1.47
TPSA78.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N,N-dimethyl-1-[2-[(4-methyl-1H-benzimidazol-2-yl)methoxy]acetyl]pyrrolidine-2-carboxamide
CID 95199282
1-[3-(4-methyl-1H-benzimidazol-2-yl)propanoyl]pyrrolidine-2-carboxylic acid
CID 119356105
3-(4-methyl-1H-benzimidazol-2-yl)-1-(2-methylpyrrolidin-1-yl)propan-1-one
CID 166227033
1-[2-(aminomethyl)pyrrolidin-1-yl]-3-(4-methyl-1H-benzimidazol-2-yl)propan-1-one
CID 119632771
1-[(3aR,5R,6R,7aS)-5-hydroxy-6-pyrrolidin-1-yl-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-2-[(4-methyl-1H-benzimidazol-2-yl)methoxy]ethanone
CID 172663596
1-[2-(4-methoxyphenoxy)acetyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 134033114
N,N-dimethyl-1-[[2-(methylaminomethyl)-1H-benzimidazol-4-yl]methyl]pyrrolidine-2-carboxamide
CID 142232803
(2S)-1-[2-(2,6-dichlorophenyl)acetyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 136584493
1-[(3aR,6aS)-3a-(hydroxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-2-[(4-methyl-1H-benzimidazol-2-yl)methoxy]ethanone
CID 157011409
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-[(4-methyl-1H-benzimidazol-2-yl)methoxy]acetamide
CID 99992998
N-methyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-2-(3-methyl-2-oxoimidazolidin-1-yl)acetamide
CID 118783842
N-methyl-1-(4-methyl-1H-benzimidazol-2-yl)-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]methanamine
CID 58884472

Frequently Asked Questions

What is the IUPAC name of (2S)-N,N-dimethyl-1-[2-[(4-methyl-1H-benzimidazol-2-yl)methoxy]acetyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N,N-dimethyl-1-[2-[(4-methyl-1H-benzimidazol-2-yl)methoxy]acetyl]pyrrolidine-2-carboxamide (CID 95199283) is (2S)-N,N-dimethyl-1-[2-[(4-methyl-1H-benzimidazol-2-yl)methoxy]acetyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N,N-dimethyl-1-[2-[(4-methyl-1H-benzimidazol-2-yl)methoxy]acetyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N,N-dimethyl-1-[2-[(4-methyl-1H-benzimidazol-2-yl)methoxy]acetyl]pyrrolidine-2-carboxamide is Cc1cccc2[nH]c(COCC(=O)N3CCC[C@H]3C(=O)N(C)C)nc12.
What is the InChIKey of (2S)-N,N-dimethyl-1-[2-[(4-methyl-1H-benzimidazol-2-yl)methoxy]acetyl]pyrrolidine-2-carboxamide?
The InChIKey is GXKBJWNFVFPWRO-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-12-6-4-7-13-17(12)20-15(19-13)10-25-11-16(23)22-9-5-8-14(22)18(24)21(2)3/h4,6-7,14H,5,8-11H2,1-3H3,(H,19,20)/t14-/m0/s1.
What are the key properties of (2S)-N,N-dimethyl-1-[2-[(4-methyl-1H-benzimidazol-2-yl)methoxy]acetyl]pyrrolidine-2-carboxamide?
(2S)-N,N-dimethyl-1-[2-[(4-methyl-1H-benzimidazol-2-yl)methoxy]acetyl]pyrrolidine-2-carboxamide has a molecular weight of 344.42 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N,N-dimethyl-1-[2-[(4-methyl-1H-benzimidazol-2-yl)methoxy]acetyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 95199283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).