2-(oxolan-2-ylmethyl)-1-pentan-3-ylbenzimidazole-5-carboxylic acid

C18H24N2O3 — CID 86714375

IUPAC2-(oxolan-2-ylmethyl)-1-pentan-3-ylbenzimidazole-5-carboxylic acid
SMILESCCC(CC)n1c(CC2CCCO2)nc2cc(C(=O)O)ccc21
InChIInChI=1S/C18H24N2O3/c1-3-13(4-2)20-16-8-7-12(18(21)22)10-15(16)19-17(20)11-14-6-5-9-23-14/h7-8,10,13-14H,3-6,9,11H2,1-2H3,(H,21,22)
InChIKeyVJWVMHASFZOSDO-UHFFFAOYSA-N
MW316.40 g/mol
LogP3.82
Rot. Bonds6

About 2-(oxolan-2-ylmethyl)-1-pentan-3-ylbenzimidazole-5-carboxylic acid

2-(oxolan-2-ylmethyl)-1-pentan-3-ylbenzimidazole-5-carboxylic acid (PubChem CID 86714375) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is 2-(oxolan-2-ylmethyl)-1-pentan-3-ylbenzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(oxolan-2-ylmethyl)-1-pentan-3-ylbenzimidazole-5-carboxylic acid
PubChem CID86714375
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name2-(oxolan-2-ylmethyl)-1-pentan-3-ylbenzimidazole-5-carboxylic acid
SMILESCCC(CC)n1c(CC2CCCO2)nc2cc(C(=O)O)ccc21
InChIInChI=1S/C18H24N2O3/c1-3-13(4-2)20-16-8-7-12(18(21)22)10-15(16)19-17(20)11-14-6-5-9-23-14/h7-8,10,13-14H,3-6,9,11H2,1-2H3,(H,21,22)
InChIKeyVJWVMHASFZOSDO-UHFFFAOYSA-N
XLogP3.82
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(oxolan-2-ylmethyl)-1-pentan-3-ylbenzimidazole-5-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methyl-2-[[2-(oxolan-2-ylmethyl)-1-pentan-3-ylbenzimidazole-5-carbonyl]amino]hexanoic acid
CID 90083790
2-ethyl-1-hexan-3-ylbenzimidazole-5-carboxylic acid
CID 62117854
2-methyl-1-pentan-3-ylbenzimidazole-5-carboxylic acid
CID 43322906
1-(oxolan-2-ylmethyl)-2-[2-(propanoylamino)ethyl]benzimidazole-5-carboxylic acid
CID 42817394
3-(1-cyclopropylbutan-2-yl)-2-ethylbenzimidazole-5-carboxylic acid
CID 82773276
2-ethyl-1-(oxan-4-ylmethyl)benzimidazole-5-carboxylic acid
CID 63711769
1-(1,3-dihydroxypropan-2-yl)-2-propylbenzimidazole-5-carboxylic acid
CID 65313317
2-[[2-(cyclohexylmethyl)-1-pentan-3-ylbenzimidazole-5-carbonyl]amino]-4-methylhexanoic acid
CID 90083928
2-(oxolan-2-ylmethyl)-1,3-benzoxazole-6-carboxylic acid
CID 81358357
2-(cyclopentylmethyl)-N-[(2S)-1-hydroxyhexan-2-yl]-1-pentan-3-ylbenzimidazole-5-carboxamide
CID 90087485
2-(cyclopentylmethyl)-N-(1-hydroxyhexan-2-yl)-1-pentan-3-ylbenzimidazole-5-carboxamide
CID 90087668
1-propan-2-yl-2-propylbenzimidazole-5-carboxylic acid
CID 43322841

Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-2-ylmethyl)-1-pentan-3-ylbenzimidazole-5-carboxylic acid?
The IUPAC name of 2-(oxolan-2-ylmethyl)-1-pentan-3-ylbenzimidazole-5-carboxylic acid (CID 86714375) is 2-(oxolan-2-ylmethyl)-1-pentan-3-ylbenzimidazole-5-carboxylic acid.
What is the SMILES notation for 2-(oxolan-2-ylmethyl)-1-pentan-3-ylbenzimidazole-5-carboxylic acid?
The canonical SMILES for 2-(oxolan-2-ylmethyl)-1-pentan-3-ylbenzimidazole-5-carboxylic acid is CCC(CC)n1c(CC2CCCO2)nc2cc(C(=O)O)ccc21.
What is the InChIKey of 2-(oxolan-2-ylmethyl)-1-pentan-3-ylbenzimidazole-5-carboxylic acid?
The InChIKey is VJWVMHASFZOSDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-3-13(4-2)20-16-8-7-12(18(21)22)10-15(16)19-17(20)11-14-6-5-9-23-14/h7-8,10,13-14H,3-6,9,11H2,1-2H3,(H,21,22).
What are the key properties of 2-(oxolan-2-ylmethyl)-1-pentan-3-ylbenzimidazole-5-carboxylic acid?
2-(oxolan-2-ylmethyl)-1-pentan-3-ylbenzimidazole-5-carboxylic acid has a molecular weight of 316.40 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-2-ylmethyl)-1-pentan-3-ylbenzimidazole-5-carboxylic acid is sourced from PubChem (CID 86714375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).