1-methyl-N-[4-(oxolan-2-ylmethoxy)phenyl]benzimidazole-5-carboxamide

C20H21N3O3 — CID 131938687

IUPAC1-methyl-N-[4-(oxolan-2-ylmethoxy)phenyl]benzimidazole-5-carboxamide
SMILESCn1cnc2cc(C(=O)Nc3ccc(OCC4CCCO4)cc3)ccc21
InChIInChI=1S/C20H21N3O3/c1-23-13-21-18-11-14(4-9-19(18)23)20(24)22-15-5-7-16(8-6-15)26-12-17-3-2-10-25-17/h4-9,11,13,17H,2-3,10,12H2,1H3,(H,22,24)
InChIKeyOSISSZPGVXTOJF-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.38
Rot. Bonds5

About 1-methyl-N-[4-(oxolan-2-ylmethoxy)phenyl]benzimidazole-5-carboxamide

1-methyl-N-[4-(oxolan-2-ylmethoxy)phenyl]benzimidazole-5-carboxamide (PubChem CID 131938687) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is 1-methyl-N-[4-(oxolan-2-ylmethoxy)phenyl]benzimidazole-5-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[4-(oxolan-2-ylmethoxy)phenyl]benzimidazole-5-carboxamide
PubChem CID131938687
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name1-methyl-N-[4-(oxolan-2-ylmethoxy)phenyl]benzimidazole-5-carboxamide
SMILESCn1cnc2cc(C(=O)Nc3ccc(OCC4CCCO4)cc3)ccc21
InChIInChI=1S/C20H21N3O3/c1-23-13-21-18-11-14(4-9-19(18)23)20(24)22-15-5-7-16(8-6-15)26-12-17-3-2-10-25-17/h4-9,11,13,17H,2-3,10,12H2,1H3,(H,22,24)
InChIKeyOSISSZPGVXTOJF-UHFFFAOYSA-N
XLogP3.38
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-acetamidophenyl)-4-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 40642293
4-methyl-N-[4-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 4957909
N-[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]pyridine-4-carboxamide
CID 7447165
methyl 4-[[4-(oxolan-2-ylmethoxy)benzoyl]amino]benzoate
CID 17222269
4-(2-methoxyethoxy)-N-[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]benzamide
CID 40796712
N-(3,4-dimethylphenyl)-4-[[(2S)-oxolan-2-yl]methoxy]benzamide
CID 42580258
4-[[4-(oxolan-2-ylmethoxy)benzoyl]amino]benzamide
CID 4786441
methyl 3-[[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]carbamoyl]benzoate
CID 41442893
3-[[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]carbamoyl]benzoic acid
CID 129465786
4-[[(2S)-oxolan-2-yl]methoxy]-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 7987635
4-(oxolan-2-ylmethoxy)-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 4795558
4-(oxolan-2-ylmethoxy)-N-(4-pyrazol-1-ylphenyl)benzamide
CID 86930592

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[4-(oxolan-2-ylmethoxy)phenyl]benzimidazole-5-carboxamide?
The IUPAC name of 1-methyl-N-[4-(oxolan-2-ylmethoxy)phenyl]benzimidazole-5-carboxamide (CID 131938687) is 1-methyl-N-[4-(oxolan-2-ylmethoxy)phenyl]benzimidazole-5-carboxamide.
What is the SMILES notation for 1-methyl-N-[4-(oxolan-2-ylmethoxy)phenyl]benzimidazole-5-carboxamide?
The canonical SMILES for 1-methyl-N-[4-(oxolan-2-ylmethoxy)phenyl]benzimidazole-5-carboxamide is Cn1cnc2cc(C(=O)Nc3ccc(OCC4CCCO4)cc3)ccc21.
What is the InChIKey of 1-methyl-N-[4-(oxolan-2-ylmethoxy)phenyl]benzimidazole-5-carboxamide?
The InChIKey is OSISSZPGVXTOJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-23-13-21-18-11-14(4-9-19(18)23)20(24)22-15-5-7-16(8-6-15)26-12-17-3-2-10-25-17/h4-9,11,13,17H,2-3,10,12H2,1H3,(H,22,24).
What are the key properties of 1-methyl-N-[4-(oxolan-2-ylmethoxy)phenyl]benzimidazole-5-carboxamide?
1-methyl-N-[4-(oxolan-2-ylmethoxy)phenyl]benzimidazole-5-carboxamide has a molecular weight of 351.41 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[4-(oxolan-2-ylmethoxy)phenyl]benzimidazole-5-carboxamide is sourced from PubChem (CID 131938687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).