1-(1-ethylpiperidin-3-yl)-2-methylbenzimidazole-5-carboxylic acid

C16H21N3O2 — CID 61478085

IUPAC1-(1-ethylpiperidin-3-yl)-2-methylbenzimidazole-5-carboxylic acid
SMILESCCN1CCCC(n2c(C)nc3cc(C(=O)O)ccc32)C1
InChIInChI=1S/C16H21N3O2/c1-3-18-8-4-5-13(10-18)19-11(2)17-14-9-12(16(20)21)6-7-15(14)19/h6-7,9,13H,3-5,8,10H2,1-2H3,(H,20,21)
InChIKeySVKLHUXAYCXKNX-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.70
Rot. Bonds3

About 1-(1-ethylpiperidin-3-yl)-2-methylbenzimidazole-5-carboxylic acid

1-(1-ethylpiperidin-3-yl)-2-methylbenzimidazole-5-carboxylic acid (PubChem CID 61478085) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 1-(1-ethylpiperidin-3-yl)-2-methylbenzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name1-(1-ethylpiperidin-3-yl)-2-methylbenzimidazole-5-carboxylic acid
PubChem CID61478085
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name1-(1-ethylpiperidin-3-yl)-2-methylbenzimidazole-5-carboxylic acid
SMILESCCN1CCCC(n2c(C)nc3cc(C(=O)O)ccc32)C1
InChIInChI=1S/C16H21N3O2/c1-3-18-8-4-5-13(10-18)19-11(2)17-14-9-12(16(20)21)6-7-15(14)19/h6-7,9,13H,3-5,8,10H2,1-2H3,(H,20,21)
InChIKeySVKLHUXAYCXKNX-UHFFFAOYSA-N
XLogP2.70
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-1-(4-methylcyclohexyl)benzimidazole-5-carboxylic acid
CID 43322927
2-methyl-1-(3-methylcyclopentyl)benzimidazole-5-carboxylic acid
CID 114549180
2-methyl-1-(2-propylcyclopropyl)benzimidazole-5-carboxylic acid
CID 114111956
1-cyclopropyl-2-methylbenzimidazole-5-carboxamide
CID 82492875
2-ethyl-1-(1-methylpyrrolidin-3-yl)benzimidazole-5-carboxylic acid
CID 61465273
2-methyl-1-(2-oxopiperidin-3-yl)benzimidazole-5-carboxylic acid
CID 62092150
1-(cyclopropylmethyl)-2-methylbenzimidazole-5-carboxylic acid
CID 43140453
1-(1-ethylpiperidin-3-yl)-2-propan-2-ylbenzimidazol-5-amine
CID 62507406
(1-cyclopentyl-2-methylbenzimidazol-5-yl)-piperazin-1-ylmethanone;2,2,2-trifluoroacetic acid
CID 71305225
1-[1-[(3-ethoxy-4-phenylmethoxyphenyl)methyl]piperidin-4-yl]-2-methylbenzimidazole-5-carboxylic acid
CID 25070960
1-cyclopropyl-2-(2,2-dimethylpropyl)benzimidazole-5-carboxylic acid
CID 82488600
1-(1-ethylpiperidin-3-yl)benzimidazol-2-amine
CID 61480058

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpiperidin-3-yl)-2-methylbenzimidazole-5-carboxylic acid?
The IUPAC name of 1-(1-ethylpiperidin-3-yl)-2-methylbenzimidazole-5-carboxylic acid (CID 61478085) is 1-(1-ethylpiperidin-3-yl)-2-methylbenzimidazole-5-carboxylic acid.
What is the SMILES notation for 1-(1-ethylpiperidin-3-yl)-2-methylbenzimidazole-5-carboxylic acid?
The canonical SMILES for 1-(1-ethylpiperidin-3-yl)-2-methylbenzimidazole-5-carboxylic acid is CCN1CCCC(n2c(C)nc3cc(C(=O)O)ccc32)C1.
What is the InChIKey of 1-(1-ethylpiperidin-3-yl)-2-methylbenzimidazole-5-carboxylic acid?
The InChIKey is SVKLHUXAYCXKNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-3-18-8-4-5-13(10-18)19-11(2)17-14-9-12(16(20)21)6-7-15(14)19/h6-7,9,13H,3-5,8,10H2,1-2H3,(H,20,21).
What are the key properties of 1-(1-ethylpiperidin-3-yl)-2-methylbenzimidazole-5-carboxylic acid?
1-(1-ethylpiperidin-3-yl)-2-methylbenzimidazole-5-carboxylic acid has a molecular weight of 287.36 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpiperidin-3-yl)-2-methylbenzimidazole-5-carboxylic acid is sourced from PubChem (CID 61478085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).