3-[2-(hydroxymethyl)-3H-benzimidazol-5-yl]-N-(oxolan-2-ylmethyl)benzamide

C20H21N3O3 — CID 122559676

IUPAC3-[2-(hydroxymethyl)-3H-benzimidazol-5-yl]-N-(oxolan-2-ylmethyl)benzamide
SMILESO=C(NCC1CCCO1)c1cccc(-c2ccc3nc(CO)[nH]c3c2)c1
InChIInChI=1S/C20H21N3O3/c24-12-19-22-17-7-6-14(10-18(17)23-19)13-3-1-4-15(9-13)20(25)21-11-16-5-2-8-26-16/h1,3-4,6-7,9-10,16,24H,2,5,8,11-12H2,(H,21,25)(H,22,23)
InChIKeyJNRZVJXFEOLYPX-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.63
Rot. Bonds5

About 3-[2-(hydroxymethyl)-3H-benzimidazol-5-yl]-N-(oxolan-2-ylmethyl)benzamide

3-[2-(hydroxymethyl)-3H-benzimidazol-5-yl]-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 122559676) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is 3-[2-(hydroxymethyl)-3H-benzimidazol-5-yl]-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-[2-(hydroxymethyl)-3H-benzimidazol-5-yl]-N-(oxolan-2-ylmethyl)benzamide
PubChem CID122559676
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name3-[2-(hydroxymethyl)-3H-benzimidazol-5-yl]-N-(oxolan-2-ylmethyl)benzamide
SMILESO=C(NCC1CCCO1)c1cccc(-c2ccc3nc(CO)[nH]c3c2)c1
InChIInChI=1S/C20H21N3O3/c24-12-19-22-17-7-6-14(10-18(17)23-19)13-3-1-4-15(9-13)20(25)21-11-16-5-2-8-26-16/h1,3-4,6-7,9-10,16,24H,2,5,8,11-12H2,(H,21,25)(H,22,23)
InChIKeyJNRZVJXFEOLYPX-UHFFFAOYSA-N
XLogP2.63
TPSA87.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(oxolan-2-ylmethyl)-3-(1H-pyrazol-4-yl)benzamide
CID 110486700
N-(oxolan-2-ylmethyl)-2-propan-2-yl-3H-benzimidazole-5-carboxamide
CID 110765626
3-(6-methoxy-3-pyridinyl)-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 126446000
3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(oxolan-2-ylmethyl)benzamide
CID 110372204
3-[6-(cyclopentylamino)pyridazin-3-yl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 125436416
N-[[(2R)-oxolan-2-yl]methyl]-3-thiophen-2-ylbenzamide
CID 7316196
N-(oxolan-2-ylmethyl)-1H-indole-5-carboxamide
CID 63717299
3-N-cyclopropyl-1-N-(oxolan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 109050678
N-[[(2S)-oxolan-2-yl]methyl]-3-[(4-phenylbenzoyl)amino]benzamide
CID 42579530
3-nitro-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 966750
3-(1-methyltetrazol-5-yl)-N-(oxolan-2-ylmethyl)benzamide
CID 75767622
2-[(6-fluoro-1H-benzimidazol-2-yl)methyl-methylamino]-N-(oxolan-2-ylmethyl)acetamide
CID 91837583

Frequently Asked Questions

What is the IUPAC name of 3-[2-(hydroxymethyl)-3H-benzimidazol-5-yl]-N-(oxolan-2-ylmethyl)benzamide?
The IUPAC name of 3-[2-(hydroxymethyl)-3H-benzimidazol-5-yl]-N-(oxolan-2-ylmethyl)benzamide (CID 122559676) is 3-[2-(hydroxymethyl)-3H-benzimidazol-5-yl]-N-(oxolan-2-ylmethyl)benzamide.
What is the SMILES notation for 3-[2-(hydroxymethyl)-3H-benzimidazol-5-yl]-N-(oxolan-2-ylmethyl)benzamide?
The canonical SMILES for 3-[2-(hydroxymethyl)-3H-benzimidazol-5-yl]-N-(oxolan-2-ylmethyl)benzamide is O=C(NCC1CCCO1)c1cccc(-c2ccc3nc(CO)[nH]c3c2)c1.
What is the InChIKey of 3-[2-(hydroxymethyl)-3H-benzimidazol-5-yl]-N-(oxolan-2-ylmethyl)benzamide?
The InChIKey is JNRZVJXFEOLYPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c24-12-19-22-17-7-6-14(10-18(17)23-19)13-3-1-4-15(9-13)20(25)21-11-16-5-2-8-26-16/h1,3-4,6-7,9-10,16,24H,2,5,8,11-12H2,(H,21,25)(H,22,23).
What are the key properties of 3-[2-(hydroxymethyl)-3H-benzimidazol-5-yl]-N-(oxolan-2-ylmethyl)benzamide?
3-[2-(hydroxymethyl)-3H-benzimidazol-5-yl]-N-(oxolan-2-ylmethyl)benzamide has a molecular weight of 351.41 g/mol, XLogP of 2.63, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(hydroxymethyl)-3H-benzimidazol-5-yl]-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 122559676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).