N-(oxolan-2-ylmethyl)-2-propan-2-yl-3H-benzimidazole-5-carboxamide

C16H21N3O2 — CID 110765626

IUPACN-(oxolan-2-ylmethyl)-2-propan-2-yl-3H-benzimidazole-5-carboxamide
SMILESCC(C)c1nc2ccc(C(=O)NCC3CCCO3)cc2[nH]1
InChIInChI=1S/C16H21N3O2/c1-10(2)15-18-13-6-5-11(8-14(13)19-15)16(20)17-9-12-4-3-7-21-12/h5-6,8,10,12H,3-4,7,9H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyIDZRHBDFYJWHMR-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.60
Rot. Bonds4

About N-(oxolan-2-ylmethyl)-2-propan-2-yl-3H-benzimidazole-5-carboxamide

N-(oxolan-2-ylmethyl)-2-propan-2-yl-3H-benzimidazole-5-carboxamide (PubChem CID 110765626) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-2-propan-2-yl-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-2-propan-2-yl-3H-benzimidazole-5-carboxamide
PubChem CID110765626
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN-(oxolan-2-ylmethyl)-2-propan-2-yl-3H-benzimidazole-5-carboxamide
SMILESCC(C)c1nc2ccc(C(=O)NCC3CCCO3)cc2[nH]1
InChIInChI=1S/C16H21N3O2/c1-10(2)15-18-13-6-5-11(8-14(13)19-15)16(20)17-9-12-4-3-7-21-12/h5-6,8,10,12H,3-4,7,9H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyIDZRHBDFYJWHMR-UHFFFAOYSA-N
XLogP2.60
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(hydroxymethyl)-3H-benzimidazol-5-yl]-N-(oxolan-2-ylmethyl)benzamide
CID 122559676
2-(difluoromethyl)-N-(oxan-3-ylmethyl)-3H-benzimidazole-5-carboxamide
CID 138998345
4,6-dimethyl-2-oxo-1-(oxolan-2-ylmethyl)-N-(2-propan-2-yl-3H-benzimidazol-5-yl)pyridine-3-carboxamide
CID 91821636
N-(oxolan-2-ylmethyl)-1H-indole-5-carboxamide
CID 63717299
2-chloro-N-(oxolan-2-ylmethyl)-1,3-benzothiazole-5-carboxamide
CID 133167285
4-amino-3-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 16789376
9,10-dioxo-N-[[(2S)-oxolan-2-yl]methyl]anthracene-2-carboxamide
CID 42559548
3-methoxy-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 669434
2-chloro-N-[[(2S)-oxolan-2-yl]methyl]-1,3-benzoxazole-5-carboxamide
CID 100786908
4-iodo-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 875708
4-fluoro-N-(oxolan-2-ylmethyl)benzamide
CID 531952
3-N-cyclopropyl-1-N-(oxolan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 109050678

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-2-propan-2-yl-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-2-propan-2-yl-3H-benzimidazole-5-carboxamide (CID 110765626) is N-(oxolan-2-ylmethyl)-2-propan-2-yl-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-2-propan-2-yl-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-2-propan-2-yl-3H-benzimidazole-5-carboxamide is CC(C)c1nc2ccc(C(=O)NCC3CCCO3)cc2[nH]1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-2-propan-2-yl-3H-benzimidazole-5-carboxamide?
The InChIKey is IDZRHBDFYJWHMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-10(2)15-18-13-6-5-11(8-14(13)19-15)16(20)17-9-12-4-3-7-21-12/h5-6,8,10,12H,3-4,7,9H2,1-2H3,(H,17,20)(H,18,19).
What are the key properties of N-(oxolan-2-ylmethyl)-2-propan-2-yl-3H-benzimidazole-5-carboxamide?
N-(oxolan-2-ylmethyl)-2-propan-2-yl-3H-benzimidazole-5-carboxamide has a molecular weight of 287.36 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-2-propan-2-yl-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 110765626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).