2-methyl-1-(3-methylphenyl)-N-(oxolan-2-ylmethyl)benzimidazole-5-carboxamide

C21H23N3O2 — CID 4535707

IUPAC2-methyl-1-(3-methylphenyl)-N-(oxolan-2-ylmethyl)benzimidazole-5-carboxamide
SMILESCc1cccc(-n2c(C)nc3cc(C(=O)NCC4CCCO4)ccc32)c1
InChIInChI=1S/C21H23N3O2/c1-14-5-3-6-17(11-14)24-15(2)23-19-12-16(8-9-20(19)24)21(25)22-13-18-7-4-10-26-18/h3,5-6,8-9,11-12,18H,4,7,10,13H2,1-2H3,(H,22,25)
InChIKeyGVMBLWJAOCARIF-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.55
Rot. Bonds4

About 2-methyl-1-(3-methylphenyl)-N-(oxolan-2-ylmethyl)benzimidazole-5-carboxamide

2-methyl-1-(3-methylphenyl)-N-(oxolan-2-ylmethyl)benzimidazole-5-carboxamide (PubChem CID 4535707) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 2-methyl-1-(3-methylphenyl)-N-(oxolan-2-ylmethyl)benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-methyl-1-(3-methylphenyl)-N-(oxolan-2-ylmethyl)benzimidazole-5-carboxamide
PubChem CID4535707
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name2-methyl-1-(3-methylphenyl)-N-(oxolan-2-ylmethyl)benzimidazole-5-carboxamide
SMILESCc1cccc(-n2c(C)nc3cc(C(=O)NCC4CCCO4)ccc32)c1
InChIInChI=1S/C21H23N3O2/c1-14-5-3-6-17(11-14)24-15(2)23-19-12-16(8-9-20(19)24)21(25)22-13-18-7-4-10-26-18/h3,5-6,8-9,11-12,18H,4,7,10,13H2,1-2H3,(H,22,25)
InChIKeyGVMBLWJAOCARIF-UHFFFAOYSA-N
XLogP3.55
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[5-methyl-4-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 7124188
2-[[5-methyl-4-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 7124189
N-(2,2-diethoxyethyl)-2-methyl-1-(3-methylphenyl)benzimidazole-5-carboxamide
CID 3655846
3-methyl-N-[3-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide
CID 17362725
3-methyl-N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide
CID 17205629
5-cyclopropyl-1-(3-methylphenyl)-N-(oxolan-2-ylmethyl)pyrazole-3-carboxamide
CID 110372655
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methyl-1-phenylbenzimidazole-5-carboxamide
CID 120948721
1-(3-methylphenyl)-N-[[(2S)-oxolan-2-yl]methyl]-5-propan-2-yltriazole-4-carboxamide
CID 27261475
2-N-[(3-methylphenyl)methyl]-6-N-(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 109096140
4-amino-3-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 16789376
4-[5-amino-3-(3-methylphenyl)pyrazol-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 44763707
3,5-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 912572

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(3-methylphenyl)-N-(oxolan-2-ylmethyl)benzimidazole-5-carboxamide?
The IUPAC name of 2-methyl-1-(3-methylphenyl)-N-(oxolan-2-ylmethyl)benzimidazole-5-carboxamide (CID 4535707) is 2-methyl-1-(3-methylphenyl)-N-(oxolan-2-ylmethyl)benzimidazole-5-carboxamide.
What is the SMILES notation for 2-methyl-1-(3-methylphenyl)-N-(oxolan-2-ylmethyl)benzimidazole-5-carboxamide?
The canonical SMILES for 2-methyl-1-(3-methylphenyl)-N-(oxolan-2-ylmethyl)benzimidazole-5-carboxamide is Cc1cccc(-n2c(C)nc3cc(C(=O)NCC4CCCO4)ccc32)c1.
What is the InChIKey of 2-methyl-1-(3-methylphenyl)-N-(oxolan-2-ylmethyl)benzimidazole-5-carboxamide?
The InChIKey is GVMBLWJAOCARIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-14-5-3-6-17(11-14)24-15(2)23-19-12-16(8-9-20(19)24)21(25)22-13-18-7-4-10-26-18/h3,5-6,8-9,11-12,18H,4,7,10,13H2,1-2H3,(H,22,25).
What are the key properties of 2-methyl-1-(3-methylphenyl)-N-(oxolan-2-ylmethyl)benzimidazole-5-carboxamide?
2-methyl-1-(3-methylphenyl)-N-(oxolan-2-ylmethyl)benzimidazole-5-carboxamide has a molecular weight of 349.43 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(3-methylphenyl)-N-(oxolan-2-ylmethyl)benzimidazole-5-carboxamide is sourced from PubChem (CID 4535707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).