3-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-N-(2-methoxyphenyl)propanamide

C21H24N4O2 — CID 124754771

IUPAC3-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-N-(2-methoxyphenyl)propanamide
SMILESCOc1ccccc1NC(=O)CCN1CCC[C@H]1c1nc2ccccc2[nH]1
InChIInChI=1S/C21H24N4O2/c1-27-19-11-5-4-9-17(19)22-20(26)12-14-25-13-6-10-18(25)21-23-15-7-2-3-8-16(15)24-21/h2-5,7-9,11,18H,6,10,12-14H2,1H3,(H,22,26)(H,23,24)/t18-/m0/s1
InChIKeyOXBOELPWPRZWIG-SFHVURJKSA-N
MW364.45 g/mol
LogP3.74
Rot. Bonds6

About 3-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-N-(2-methoxyphenyl)propanamide

3-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-N-(2-methoxyphenyl)propanamide (PubChem CID 124754771) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 3-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-N-(2-methoxyphenyl)propanamide.

Molecular Properties

Compound Name3-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-N-(2-methoxyphenyl)propanamide
PubChem CID124754771
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name3-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-N-(2-methoxyphenyl)propanamide
SMILESCOc1ccccc1NC(=O)CCN1CCC[C@H]1c1nc2ccccc2[nH]1
InChIInChI=1S/C21H24N4O2/c1-27-19-11-5-4-9-17(19)22-20(26)12-14-25-13-6-10-18(25)21-23-15-7-2-3-8-16(15)24-21/h2-5,7-9,11,18H,6,10,12-14H2,1H3,(H,22,26)(H,23,24)/t18-/m0/s1
InChIKeyOXBOELPWPRZWIG-SFHVURJKSA-N
XLogP3.74
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(3,5-dimethylphenyl)pyrrolidin-1-yl]-N-(2-methoxyphenyl)propanamide
CID 86952130
N-(2-methoxyphenyl)-2-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]acetamide
CID 1453158
2-[4-(6-chloro-1H-benzimidazol-2-yl)piperidin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 43815822
2-(1H-benzimidazol-2-yl)-N-(4-methoxyphenyl)pyrrolidine-1-carboxamide
CID 3231348
2-[1-(2-methoxyphenyl)sulfonylpyrrolidin-2-yl]-1H-benzimidazole
CID 51278456
1-[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]ethanone
CID 43841790
1-[2-(2-methoxyanilino)-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 43441726
methyl 3-(1H-benzimidazol-2-yl)piperidine-1-carboxylate
CID 110404102
1-[(2R)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-(2,4-dimethoxyphenyl)ethanone
CID 40920690
2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-N-(2-methoxy-4-nitrophenyl)acetamide
CID 3223449
2-(1H-benzimidazol-2-ylmethylsulfanyl)-N-(2-methoxyphenyl)acetamide
CID 583439
N-(2-methoxyphenyl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide;hydrochloride
CID 119928580

Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-N-(2-methoxyphenyl)propanamide?
The IUPAC name of 3-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-N-(2-methoxyphenyl)propanamide (CID 124754771) is 3-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-N-(2-methoxyphenyl)propanamide.
What is the SMILES notation for 3-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-N-(2-methoxyphenyl)propanamide?
The canonical SMILES for 3-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-N-(2-methoxyphenyl)propanamide is COc1ccccc1NC(=O)CCN1CCC[C@H]1c1nc2ccccc2[nH]1.
What is the InChIKey of 3-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-N-(2-methoxyphenyl)propanamide?
The InChIKey is OXBOELPWPRZWIG-SFHVURJKSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-27-19-11-5-4-9-17(19)22-20(26)12-14-25-13-6-10-18(25)21-23-15-7-2-3-8-16(15)24-21/h2-5,7-9,11,18H,6,10,12-14H2,1H3,(H,22,26)(H,23,24)/t18-/m0/s1.
What are the key properties of 3-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-N-(2-methoxyphenyl)propanamide?
3-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-N-(2-methoxyphenyl)propanamide has a molecular weight of 364.45 g/mol, XLogP of 3.74, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-N-(2-methoxyphenyl)propanamide is sourced from PubChem (CID 124754771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).