(2R)-2-(1H-benzimidazol-2-yl)-N-[2-(4-methoxyphenyl)ethyl]pyrrolidine-1-carboxamide

C21H24N4O2 — CID 129366444

IUPAC(2R)-2-(1H-benzimidazol-2-yl)-N-[2-(4-methoxyphenyl)ethyl]pyrrolidine-1-carboxamide
SMILESCOc1ccc(CCNC(=O)N2CCC[C@@H]2c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C21H24N4O2/c1-27-16-10-8-15(9-11-16)12-13-22-21(26)25-14-4-7-19(25)20-23-17-5-2-3-6-18(17)24-20/h2-3,5-6,8-11,19H,4,7,12-14H2,1H3,(H,22,26)(H,23,24)/t19-/m1/s1
InChIKeyRFLRWUKWQLCSEM-LJQANCHMSA-N
MW364.45 g/mol
LogP3.66
Rot. Bonds5

About (2R)-2-(1H-benzimidazol-2-yl)-N-[2-(4-methoxyphenyl)ethyl]pyrrolidine-1-carboxamide

(2R)-2-(1H-benzimidazol-2-yl)-N-[2-(4-methoxyphenyl)ethyl]pyrrolidine-1-carboxamide (PubChem CID 129366444) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is (2R)-2-(1H-benzimidazol-2-yl)-N-[2-(4-methoxyphenyl)ethyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-2-(1H-benzimidazol-2-yl)-N-[2-(4-methoxyphenyl)ethyl]pyrrolidine-1-carboxamide
PubChem CID129366444
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name(2R)-2-(1H-benzimidazol-2-yl)-N-[2-(4-methoxyphenyl)ethyl]pyrrolidine-1-carboxamide
SMILESCOc1ccc(CCNC(=O)N2CCC[C@@H]2c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C21H24N4O2/c1-27-16-10-8-15(9-11-16)12-13-22-21(26)25-14-4-7-19(25)20-23-17-5-2-3-6-18(17)24-20/h2-3,5-6,8-11,19H,4,7,12-14H2,1H3,(H,22,26)(H,23,24)/t19-/m1/s1
InChIKeyRFLRWUKWQLCSEM-LJQANCHMSA-N
XLogP3.66
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1H-benzimidazol-2-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]piperidine-1-carboxamide
CID 121239371
2-(1H-benzimidazol-2-yl)-N-(4-methoxyphenyl)pyrrolidine-1-carboxamide
CID 3231348
(2S)-2-(1H-benzimidazol-2-yl)-N-[2-(3-methyl-2-pyridinyl)ethyl]pyrrolidine-1-carboxamide
CID 125144818
1-[(2R)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-(2,4-dimethoxyphenyl)ethanone
CID 40920690
1-[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]ethanone
CID 43841790
2-(hydroxymethyl)-N-[2-(4-methoxyphenyl)ethyl]pyrrolidine-1-carboxamide
CID 111427687
tert-butyl N-[[4-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]phenyl]methyl]carbamate
CID 51559795
3-[3-[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-3-oxopropyl]-1H-quinoxalin-2-one
CID 72929082
N-[2-(4-methoxyphenyl)ethyl]-1H-benzimidazole-2-carboxamide
CID 584328
2-(1H-benzimidazol-2-yl)-N-pyridin-4-ylpyrrolidine-1-carboxamide
CID 138993592
formic acid;N-[2-(2-methoxyphenyl)ethyl]-2-(4-methyl-1H-benzimidazol-2-yl)pyrrolidine-1-carboxamide
CID 154903848
N-[2-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]-2-phenylacetamide
CID 25405874

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(1H-benzimidazol-2-yl)-N-[2-(4-methoxyphenyl)ethyl]pyrrolidine-1-carboxamide?
The IUPAC name of (2R)-2-(1H-benzimidazol-2-yl)-N-[2-(4-methoxyphenyl)ethyl]pyrrolidine-1-carboxamide (CID 129366444) is (2R)-2-(1H-benzimidazol-2-yl)-N-[2-(4-methoxyphenyl)ethyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for (2R)-2-(1H-benzimidazol-2-yl)-N-[2-(4-methoxyphenyl)ethyl]pyrrolidine-1-carboxamide?
The canonical SMILES for (2R)-2-(1H-benzimidazol-2-yl)-N-[2-(4-methoxyphenyl)ethyl]pyrrolidine-1-carboxamide is COc1ccc(CCNC(=O)N2CCC[C@@H]2c2nc3ccccc3[nH]2)cc1.
What is the InChIKey of (2R)-2-(1H-benzimidazol-2-yl)-N-[2-(4-methoxyphenyl)ethyl]pyrrolidine-1-carboxamide?
The InChIKey is RFLRWUKWQLCSEM-LJQANCHMSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-27-16-10-8-15(9-11-16)12-13-22-21(26)25-14-4-7-19(25)20-23-17-5-2-3-6-18(17)24-20/h2-3,5-6,8-11,19H,4,7,12-14H2,1H3,(H,22,26)(H,23,24)/t19-/m1/s1.
What are the key properties of (2R)-2-(1H-benzimidazol-2-yl)-N-[2-(4-methoxyphenyl)ethyl]pyrrolidine-1-carboxamide?
(2R)-2-(1H-benzimidazol-2-yl)-N-[2-(4-methoxyphenyl)ethyl]pyrrolidine-1-carboxamide has a molecular weight of 364.45 g/mol, XLogP of 3.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(1H-benzimidazol-2-yl)-N-[2-(4-methoxyphenyl)ethyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 129366444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).