N-[1-[1-[(2-methoxyphenyl)methyl]benzimidazole-5-carbonyl]pyrrolidin-3-yl]acetamide

C22H24N4O3 — CID 167917392

IUPACN-[1-[1-[(2-methoxyphenyl)methyl]benzimidazole-5-carbonyl]pyrrolidin-3-yl]acetamide
SMILESCOc1ccccc1Cn1cnc2cc(C(=O)N3CCC(NC(C)=O)C3)ccc21
InChIInChI=1S/C22H24N4O3/c1-15(27)24-18-9-10-25(13-18)22(28)16-7-8-20-19(11-16)23-14-26(20)12-17-5-3-4-6-21(17)29-2/h3-8,11,14,18H,9-10,12-13H2,1-2H3,(H,24,27)
InChIKeyAZJHEFGEDVKFMI-UHFFFAOYSA-N
MW392.46 g/mol
LogP2.44
Rot. Bonds5

About N-[1-[1-[(2-methoxyphenyl)methyl]benzimidazole-5-carbonyl]pyrrolidin-3-yl]acetamide

N-[1-[1-[(2-methoxyphenyl)methyl]benzimidazole-5-carbonyl]pyrrolidin-3-yl]acetamide (PubChem CID 167917392) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is N-[1-[1-[(2-methoxyphenyl)methyl]benzimidazole-5-carbonyl]pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-[1-[(2-methoxyphenyl)methyl]benzimidazole-5-carbonyl]pyrrolidin-3-yl]acetamide
PubChem CID167917392
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC NameN-[1-[1-[(2-methoxyphenyl)methyl]benzimidazole-5-carbonyl]pyrrolidin-3-yl]acetamide
SMILESCOc1ccccc1Cn1cnc2cc(C(=O)N3CCC(NC(C)=O)C3)ccc21
InChIInChI=1S/C22H24N4O3/c1-15(27)24-18-9-10-25(13-18)22(28)16-7-8-20-19(11-16)23-14-26(20)12-17-5-3-4-6-21(17)29-2/h3-8,11,14,18H,9-10,12-13H2,1-2H3,(H,24,27)
InChIKeyAZJHEFGEDVKFMI-UHFFFAOYSA-N
XLogP2.44
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[(2-methoxyphenyl)methyl]benzimidazol-5-yl]-(2-oxa-7-azaspiro[3.4]octan-7-yl)methanone
CID 136554130
N-[1-(3-benzylimidazo[4,5-b]pyridine-6-carbonyl)pyrrolidin-3-yl]acetamide
CID 176505536
3-[(2-methoxyphenyl)methyl]benzimidazole-5-carboxylic acid
CID 82769947
[2-(3,4-difluorophenyl)-2-methylcyclopropyl]-[2-[1-[1-[(2-methoxyphenyl)methyl]benzimidazole-5-carbonyl]piperidin-4-yl]-3,3-dimethylazetidin-1-yl]methanone
CID 166344742
[1-(4-bromoanilino)-1-oxopropan-2-yl] 1-[(2-methoxyphenyl)methyl]benzimidazole-5-carboxylate
CID 155968389
N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-3-(2-methoxyphenyl)propanamide
CID 108935651
[3-(methylamino)pyrrolidin-1-yl]-(1-propan-2-ylbenzimidazol-5-yl)methanone
CID 75495784
N-[(3R)-1-[3-(2,4-dimethoxyphenyl)benzoyl]pyrrolidin-3-yl]acetamide
CID 125164313
N-[(3S)-1-(3-fluorobenzoyl)pyrrolidin-3-yl]acetamide
CID 95051606
N-[(3R)-1-(3-fluorobenzoyl)pyrrolidin-3-yl]acetamide
CID 95051605
(3,4-dimethoxyphenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 60818753
N-[1-[3-(2-methyl-4-pyridinyl)benzoyl]pyrrolidin-3-yl]acetamide
CID 118773574

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-[(2-methoxyphenyl)methyl]benzimidazole-5-carbonyl]pyrrolidin-3-yl]acetamide?
The IUPAC name of N-[1-[1-[(2-methoxyphenyl)methyl]benzimidazole-5-carbonyl]pyrrolidin-3-yl]acetamide (CID 167917392) is N-[1-[1-[(2-methoxyphenyl)methyl]benzimidazole-5-carbonyl]pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[1-[1-[(2-methoxyphenyl)methyl]benzimidazole-5-carbonyl]pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[1-[1-[(2-methoxyphenyl)methyl]benzimidazole-5-carbonyl]pyrrolidin-3-yl]acetamide is COc1ccccc1Cn1cnc2cc(C(=O)N3CCC(NC(C)=O)C3)ccc21.
What is the InChIKey of N-[1-[1-[(2-methoxyphenyl)methyl]benzimidazole-5-carbonyl]pyrrolidin-3-yl]acetamide?
The InChIKey is AZJHEFGEDVKFMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-15(27)24-18-9-10-25(13-18)22(28)16-7-8-20-19(11-16)23-14-26(20)12-17-5-3-4-6-21(17)29-2/h3-8,11,14,18H,9-10,12-13H2,1-2H3,(H,24,27).
What are the key properties of N-[1-[1-[(2-methoxyphenyl)methyl]benzimidazole-5-carbonyl]pyrrolidin-3-yl]acetamide?
N-[1-[1-[(2-methoxyphenyl)methyl]benzimidazole-5-carbonyl]pyrrolidin-3-yl]acetamide has a molecular weight of 392.46 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-[(2-methoxyphenyl)methyl]benzimidazole-5-carbonyl]pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 167917392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).