3-(1-morpholin-4-ylpropan-2-yl)benzimidazole-5-carboxylic acid

C15H19N3O3 — CID 82773676

IUPAC3-(1-morpholin-4-ylpropan-2-yl)benzimidazole-5-carboxylic acid
SMILESCC(CN1CCOCC1)n1cnc2ccc(C(=O)O)cc21
InChIInChI=1S/C15H19N3O3/c1-11(9-17-4-6-21-7-5-17)18-10-16-13-3-2-12(15(19)20)8-14(13)18/h2-3,8,10-11H,4-7,9H2,1H3,(H,19,20)
InChIKeyIIUXYPPPEFMGPX-UHFFFAOYSA-N
MW289.33 g/mol
LogP1.63
Rot. Bonds4

About 3-(1-morpholin-4-ylpropan-2-yl)benzimidazole-5-carboxylic acid

3-(1-morpholin-4-ylpropan-2-yl)benzimidazole-5-carboxylic acid (PubChem CID 82773676) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is 3-(1-morpholin-4-ylpropan-2-yl)benzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(1-morpholin-4-ylpropan-2-yl)benzimidazole-5-carboxylic acid
PubChem CID82773676
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Name3-(1-morpholin-4-ylpropan-2-yl)benzimidazole-5-carboxylic acid
SMILESCC(CN1CCOCC1)n1cnc2ccc(C(=O)O)cc21
InChIInChI=1S/C15H19N3O3/c1-11(9-17-4-6-21-7-5-17)18-10-16-13-3-2-12(15(19)20)8-14(13)18/h2-3,8,10-11H,4-7,9H2,1H3,(H,19,20)
InChIKeyIIUXYPPPEFMGPX-UHFFFAOYSA-N
XLogP1.63
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Brd4770
CID 72193870
1-Isopropyl-1H-benzoimidazole-5-carboxylic acid
CID 4712703
ethyl 2-[4-(1-piperidyl)phenyl]-1H-benzimidazole-5-carboxylate
CID 126720627
2-(Benzoylamino)-1-(3-phenylpropyl)-1H-benzimidazole-5-carboxylic acid
CID 73755260
5-Benzimidazolecarboxylic acid
CID 459456
2-Methyl-1-phenyl-1H-benzimidazole-5-carboxylic acid
CID 619926
Methyl 1-phenyl-1H-benzo[d]imidazole-5-carboxylate
CID 5328469
2-(9-Ethyl-6-methylcarbazol-3-yl)-1-(2-methoxyethyl)-4-methylbenzimidazole-5-carboxylic acid
CID 90202558
Methyl 4-(7-fluoro-6-pyridin-4-ylbenzimidazol-1-yl)benzoate
CID 146316027
4-[Ethyl-[4-(3-methylbenzimidazole-5-carbonyl)piperidine-1-carbonyl]amino]benzoic acid
CID 146627023
Ethyl 1-ethyl-2-methyl-1H-benzimidazole-5-carboxylate
CID 690728
2-(hydroxymethyl)-1H-benzimidazole-5-carboxylic acid
CID 768518

Frequently Asked Questions

What is the IUPAC name of 3-(1-morpholin-4-ylpropan-2-yl)benzimidazole-5-carboxylic acid?
The IUPAC name of 3-(1-morpholin-4-ylpropan-2-yl)benzimidazole-5-carboxylic acid (CID 82773676) is 3-(1-morpholin-4-ylpropan-2-yl)benzimidazole-5-carboxylic acid.
What is the SMILES notation for 3-(1-morpholin-4-ylpropan-2-yl)benzimidazole-5-carboxylic acid?
The canonical SMILES for 3-(1-morpholin-4-ylpropan-2-yl)benzimidazole-5-carboxylic acid is CC(CN1CCOCC1)n1cnc2ccc(C(=O)O)cc21.
What is the InChIKey of 3-(1-morpholin-4-ylpropan-2-yl)benzimidazole-5-carboxylic acid?
The InChIKey is IIUXYPPPEFMGPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-11(9-17-4-6-21-7-5-17)18-10-16-13-3-2-12(15(19)20)8-14(13)18/h2-3,8,10-11H,4-7,9H2,1H3,(H,19,20).
What are the key properties of 3-(1-morpholin-4-ylpropan-2-yl)benzimidazole-5-carboxylic acid?
3-(1-morpholin-4-ylpropan-2-yl)benzimidazole-5-carboxylic acid has a molecular weight of 289.33 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-morpholin-4-ylpropan-2-yl)benzimidazole-5-carboxylic acid is sourced from PubChem (CID 82773676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).