1-methyl-2-(morpholin-4-ylmethyl)benzimidazole-5-carboxylic acid

C14H17N3O3 — CID 83967724

IUPAC1-methyl-2-(morpholin-4-ylmethyl)benzimidazole-5-carboxylic acid
SMILESCn1c(CN2CCOCC2)nc2cc(C(=O)O)ccc21
InChIInChI=1S/C14H17N3O3/c1-16-12-3-2-10(14(18)19)8-11(12)15-13(16)9-17-4-6-20-7-5-17/h2-3,8H,4-7,9H2,1H3,(H,18,19)
InChIKeyWVCFBDVOUFQIDL-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.10
Rot. Bonds3

About 1-methyl-2-(morpholin-4-ylmethyl)benzimidazole-5-carboxylic acid

1-methyl-2-(morpholin-4-ylmethyl)benzimidazole-5-carboxylic acid (PubChem CID 83967724) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 1-methyl-2-(morpholin-4-ylmethyl)benzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name1-methyl-2-(morpholin-4-ylmethyl)benzimidazole-5-carboxylic acid
PubChem CID83967724
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name1-methyl-2-(morpholin-4-ylmethyl)benzimidazole-5-carboxylic acid
SMILESCn1c(CN2CCOCC2)nc2cc(C(=O)O)ccc21
InChIInChI=1S/C14H17N3O3/c1-16-12-3-2-10(14(18)19)8-11(12)15-13(16)9-17-4-6-20-7-5-17/h2-3,8H,4-7,9H2,1H3,(H,18,19)
InChIKeyWVCFBDVOUFQIDL-UHFFFAOYSA-N
XLogP1.10
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-2-(morpholin-4-ylmethyl)benzimidazole-5-carboxylic acid
CID 83967729
4-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]morpholine
CID 851996
2-(hydroxymethyl)-1-methylbenzimidazole-5-carboxylic acid;hydrochloride
CID 126810084
2-[ethyl(2-morpholin-4-ylethyl)amino]-1-methylbenzimidazole-5-carboxylic acid
CID 134701689
1-(2,3-dihydro-1H-benzimidazol-2-ylmethyl)-2-(morpholin-4-ylmethyl)benzimidazole-5-carboxylic acid
CID 142185582
1-(1H-benzimidazol-2-ylmethyl)-2-(morpholin-4-ylmethyl)benzimidazole-5-carboxylic acid
CID 22181904
1-ethyl-2-[(4-methylpiperazin-1-yl)methyl]benzimidazole-5-carboxylic acid
CID 138003594
(4-tert-butylphenyl)-[4-[[1-methyl-5-(pyrrolidine-1-carbonyl)benzimidazol-2-yl]methyl]piperazin-1-yl]methanone
CID 50822440
1-methyl-3-(morpholin-4-ylmethyl)indole-5-carboxylic acid
CID 117175278
1-[4-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]piperazin-1-yl]ethanone
CID 56814014
2-cyclopropyl-1-(2-morpholin-4-ylethyl)indole-5-carboxylic acid;ethane
CID 144829094
1-methyl-2-(thiophen-3-ylmethyl)benzimidazole-5-carboxylic acid
CID 63891340

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(morpholin-4-ylmethyl)benzimidazole-5-carboxylic acid?
The IUPAC name of 1-methyl-2-(morpholin-4-ylmethyl)benzimidazole-5-carboxylic acid (CID 83967724) is 1-methyl-2-(morpholin-4-ylmethyl)benzimidazole-5-carboxylic acid.
What is the SMILES notation for 1-methyl-2-(morpholin-4-ylmethyl)benzimidazole-5-carboxylic acid?
The canonical SMILES for 1-methyl-2-(morpholin-4-ylmethyl)benzimidazole-5-carboxylic acid is Cn1c(CN2CCOCC2)nc2cc(C(=O)O)ccc21.
What is the InChIKey of 1-methyl-2-(morpholin-4-ylmethyl)benzimidazole-5-carboxylic acid?
The InChIKey is WVCFBDVOUFQIDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-16-12-3-2-10(14(18)19)8-11(12)15-13(16)9-17-4-6-20-7-5-17/h2-3,8H,4-7,9H2,1H3,(H,18,19).
What are the key properties of 1-methyl-2-(morpholin-4-ylmethyl)benzimidazole-5-carboxylic acid?
1-methyl-2-(morpholin-4-ylmethyl)benzimidazole-5-carboxylic acid has a molecular weight of 275.31 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(morpholin-4-ylmethyl)benzimidazole-5-carboxylic acid is sourced from PubChem (CID 83967724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).