N-[1-(2-methoxyethyl)pyrrolidin-3-yl]-1-(3-methylphenyl)benzimidazole-5-carboxamide

C22H26N4O2 — CID 136553580

IUPACN-[1-(2-methoxyethyl)pyrrolidin-3-yl]-1-(3-methylphenyl)benzimidazole-5-carboxamide
SMILESCOCCN1CCC(NC(=O)c2ccc3c(c2)ncn3-c2cccc(C)c2)C1
InChIInChI=1S/C22H26N4O2/c1-16-4-3-5-19(12-16)26-15-23-20-13-17(6-7-21(20)26)22(27)24-18-8-9-25(14-18)10-11-28-2/h3-7,12-13,15,18H,8-11,14H2,1-2H3,(H,24,27)
InChIKeyOZMGTXFTUOILPY-UHFFFAOYSA-N
MW378.48 g/mol
LogP2.78
Rot. Bonds6

About N-[1-(2-methoxyethyl)pyrrolidin-3-yl]-1-(3-methylphenyl)benzimidazole-5-carboxamide

N-[1-(2-methoxyethyl)pyrrolidin-3-yl]-1-(3-methylphenyl)benzimidazole-5-carboxamide (PubChem CID 136553580) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is N-[1-(2-methoxyethyl)pyrrolidin-3-yl]-1-(3-methylphenyl)benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(2-methoxyethyl)pyrrolidin-3-yl]-1-(3-methylphenyl)benzimidazole-5-carboxamide
PubChem CID136553580
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC NameN-[1-(2-methoxyethyl)pyrrolidin-3-yl]-1-(3-methylphenyl)benzimidazole-5-carboxamide
SMILESCOCCN1CCC(NC(=O)c2ccc3c(c2)ncn3-c2cccc(C)c2)C1
InChIInChI=1S/C22H26N4O2/c1-16-4-3-5-19(12-16)26-15-23-20-13-17(6-7-21(20)26)22(27)24-18-8-9-25(14-18)10-11-28-2/h3-7,12-13,15,18H,8-11,14H2,1-2H3,(H,24,27)
InChIKeyOZMGTXFTUOILPY-UHFFFAOYSA-N
XLogP2.78
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-methylphenyl)-N-propylbenzimidazole-5-carboxamide
CID 3279711
1-(3-methylphenyl)-N-octylbenzimidazole-5-carboxamide
CID 3614186
1-(3-methylphenyl)-N-(thiophen-2-ylmethyl)benzimidazole-5-carboxamide
CID 86268678
2-hydroxy-N-[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]-5-methylbenzamide
CID 95616399
N-[(2-methoxy-6-methylcyclohexa-1,3-dien-1-yl)methyl]-1-(3-methylphenyl)benzimidazole-5-carboxamide
CID 144712535
[3-[(dimethylamino)methyl]azetidin-1-yl]-[1-(3-methylphenyl)benzimidazol-5-yl]methanone
CID 136553899
3-methoxy-N-[1-(2-methoxyethyl)piperidin-4-yl]benzamide
CID 71784695
N-[1-(2-methoxyethyl)piperidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide
CID 172899699
3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl-[1-(3-methylphenyl)benzimidazol-5-yl]methanone
CID 136553770
N-[(3R)-1-(2-methoxyethyl)piperidin-3-yl]-1-methyl-2-oxopyridine-4-carboxamide
CID 129359727
N-cyclopropyl-1-methylbenzimidazole-5-carboxamide
CID 95967858
3-(2-methoxyphenyl)-1-[1-(3-methylphenyl)benzimidazol-5-yl]propan-1-one
CID 158587879

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyethyl)pyrrolidin-3-yl]-1-(3-methylphenyl)benzimidazole-5-carboxamide?
The IUPAC name of N-[1-(2-methoxyethyl)pyrrolidin-3-yl]-1-(3-methylphenyl)benzimidazole-5-carboxamide (CID 136553580) is N-[1-(2-methoxyethyl)pyrrolidin-3-yl]-1-(3-methylphenyl)benzimidazole-5-carboxamide.
What is the SMILES notation for N-[1-(2-methoxyethyl)pyrrolidin-3-yl]-1-(3-methylphenyl)benzimidazole-5-carboxamide?
The canonical SMILES for N-[1-(2-methoxyethyl)pyrrolidin-3-yl]-1-(3-methylphenyl)benzimidazole-5-carboxamide is COCCN1CCC(NC(=O)c2ccc3c(c2)ncn3-c2cccc(C)c2)C1.
What is the InChIKey of N-[1-(2-methoxyethyl)pyrrolidin-3-yl]-1-(3-methylphenyl)benzimidazole-5-carboxamide?
The InChIKey is OZMGTXFTUOILPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-16-4-3-5-19(12-16)26-15-23-20-13-17(6-7-21(20)26)22(27)24-18-8-9-25(14-18)10-11-28-2/h3-7,12-13,15,18H,8-11,14H2,1-2H3,(H,24,27).
What are the key properties of N-[1-(2-methoxyethyl)pyrrolidin-3-yl]-1-(3-methylphenyl)benzimidazole-5-carboxamide?
N-[1-(2-methoxyethyl)pyrrolidin-3-yl]-1-(3-methylphenyl)benzimidazole-5-carboxamide has a molecular weight of 378.48 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxyethyl)pyrrolidin-3-yl]-1-(3-methylphenyl)benzimidazole-5-carboxamide is sourced from PubChem (CID 136553580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).