N-[1-(4-methoxyphenyl)benzimidazol-2-yl]-2-pyrrolidin-2-ylacetamide;hydrochloride

C20H23ClN4O2 — CID 119800355

IUPACN-[1-(4-methoxyphenyl)benzimidazol-2-yl]-2-pyrrolidin-2-ylacetamide;hydrochloride
SMILESCOc1ccc(-n2c(NC(=O)CC3CCCN3)nc3ccccc32)cc1.Cl
InChIInChI=1S/C20H22N4O2.ClH/c1-26-16-10-8-15(9-11-16)24-18-7-3-2-6-17(18)22-20(24)23-19(25)13-14-5-4-12-21-14;/h2-3,6-11,14,21H,4-5,12-13H2,1H3,(H,22,23,25);1H
InChIKeyQGAGLUCADGQKIO-UHFFFAOYSA-N
MW386.88 g/mol
LogP3.54
Rot. Bonds5

About N-[1-(4-methoxyphenyl)benzimidazol-2-yl]-2-pyrrolidin-2-ylacetamide;hydrochloride

N-[1-(4-methoxyphenyl)benzimidazol-2-yl]-2-pyrrolidin-2-ylacetamide;hydrochloride (PubChem CID 119800355) has the molecular formula C20H23ClN4O2 and a molecular weight of 386.88 g/mol. Its IUPAC name is N-[1-(4-methoxyphenyl)benzimidazol-2-yl]-2-pyrrolidin-2-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(4-methoxyphenyl)benzimidazol-2-yl]-2-pyrrolidin-2-ylacetamide;hydrochloride
PubChem CID119800355
Molecular FormulaC20H23ClN4O2
Molecular Weight386.88 g/mol
Exact Mass386.15
IUPAC NameN-[1-(4-methoxyphenyl)benzimidazol-2-yl]-2-pyrrolidin-2-ylacetamide;hydrochloride
SMILESCOc1ccc(-n2c(NC(=O)CC3CCCN3)nc3ccccc32)cc1.Cl
InChIInChI=1S/C20H22N4O2.ClH/c1-26-16-10-8-15(9-11-16)24-18-7-3-2-6-17(18)22-20(24)23-19(25)13-14-5-4-12-21-14;/h2-3,6-11,14,21H,4-5,12-13H2,1H3,(H,22,23,25);1H
InChIKeyQGAGLUCADGQKIO-UHFFFAOYSA-N
XLogP3.54
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.88
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(cyclopropylmethylamino)-N-[1-(4-methoxyphenyl)benzimidazol-2-yl]acetamide;hydrochloride
CID 119800349
N-(1-cyclopentylbenzimidazol-2-yl)-2-pyrrolidin-2-ylacetamide
CID 119799593
N-[1-(3-methoxyphenyl)benzimidazol-2-yl]-2-thiomorpholin-3-ylacetamide
CID 119939723
2-(cyclopropylmethylamino)-N-(1-phenylbenzimidazol-2-yl)acetamide;hydrochloride
CID 119732173
(2S,5R)-5-(aminomethyl)-N-[1-(4-methoxyphenyl)benzimidazol-2-yl]oxolane-2-carboxamide;hydrochloride
CID 120794651
(2S,4S)-N-[1-(3-methoxyphenyl)benzimidazol-2-yl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120635454
N-(2-acetamido-5-methoxyphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119711100
N-[2-(4-methoxyphenyl)ethyl]-2-pyrrolidin-2-ylacetamide
CID 61371395
2-fluoro-N-[1-(3-methoxyphenyl)benzimidazol-2-yl]-2-pyrrolidin-3-ylacetamide
CID 167760893
N-[1-(4-methoxyphenyl)ethyl]-2-pyrrolidin-2-ylacetamide
CID 66195074
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119697911
N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-2-pyrrolidin-2-ylacetamide;dihydrochloride
CID 119899384

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxyphenyl)benzimidazol-2-yl]-2-pyrrolidin-2-ylacetamide;hydrochloride?
The IUPAC name of N-[1-(4-methoxyphenyl)benzimidazol-2-yl]-2-pyrrolidin-2-ylacetamide;hydrochloride (CID 119800355) is N-[1-(4-methoxyphenyl)benzimidazol-2-yl]-2-pyrrolidin-2-ylacetamide;hydrochloride.
What is the SMILES notation for N-[1-(4-methoxyphenyl)benzimidazol-2-yl]-2-pyrrolidin-2-ylacetamide;hydrochloride?
The canonical SMILES for N-[1-(4-methoxyphenyl)benzimidazol-2-yl]-2-pyrrolidin-2-ylacetamide;hydrochloride is COc1ccc(-n2c(NC(=O)CC3CCCN3)nc3ccccc32)cc1.Cl.
What is the InChIKey of N-[1-(4-methoxyphenyl)benzimidazol-2-yl]-2-pyrrolidin-2-ylacetamide;hydrochloride?
The InChIKey is QGAGLUCADGQKIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2.ClH/c1-26-16-10-8-15(9-11-16)24-18-7-3-2-6-17(18)22-20(24)23-19(25)13-14-5-4-12-21-14;/h2-3,6-11,14,21H,4-5,12-13H2,1H3,(H,22,23,25);1H.
What are the key properties of N-[1-(4-methoxyphenyl)benzimidazol-2-yl]-2-pyrrolidin-2-ylacetamide;hydrochloride?
N-[1-(4-methoxyphenyl)benzimidazol-2-yl]-2-pyrrolidin-2-ylacetamide;hydrochloride has a molecular weight of 386.88 g/mol, XLogP of 3.54, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxyphenyl)benzimidazol-2-yl]-2-pyrrolidin-2-ylacetamide;hydrochloride is sourced from PubChem (CID 119800355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).