1-[[1-(4-methoxyphenyl)benzimidazol-2-yl]methyl]piperidine-4-carboxylic acid

C21H23N3O3 — CID 119908334

IUPAC1-[[1-(4-methoxyphenyl)benzimidazol-2-yl]methyl]piperidine-4-carboxylic acid
SMILESCOc1ccc(-n2c(CN3CCC(C(=O)O)CC3)nc3ccccc32)cc1
InChIInChI=1S/C21H23N3O3/c1-27-17-8-6-16(7-9-17)24-19-5-3-2-4-18(19)22-20(24)14-23-12-10-15(11-13-23)21(25)26/h2-9,15H,10-14H2,1H3,(H,25,26)
InChIKeyXNABLFDNBHUULE-UHFFFAOYSA-N
MW365.43 g/mol
LogP3.33
Rot. Bonds5

About 1-[[1-(4-methoxyphenyl)benzimidazol-2-yl]methyl]piperidine-4-carboxylic acid

1-[[1-(4-methoxyphenyl)benzimidazol-2-yl]methyl]piperidine-4-carboxylic acid (PubChem CID 119908334) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is 1-[[1-(4-methoxyphenyl)benzimidazol-2-yl]methyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[[1-(4-methoxyphenyl)benzimidazol-2-yl]methyl]piperidine-4-carboxylic acid
PubChem CID119908334
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name1-[[1-(4-methoxyphenyl)benzimidazol-2-yl]methyl]piperidine-4-carboxylic acid
SMILESCOc1ccc(-n2c(CN3CCC(C(=O)O)CC3)nc3ccccc32)cc1
InChIInChI=1S/C21H23N3O3/c1-27-17-8-6-16(7-9-17)24-19-5-3-2-4-18(19)22-20(24)14-23-12-10-15(11-13-23)21(25)26/h2-9,15H,10-14H2,1H3,(H,25,26)
InChIKeyXNABLFDNBHUULE-UHFFFAOYSA-N
XLogP3.33
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-fluorophenyl)methyl]-1-[[1-(4-methoxyphenyl)benzimidazol-2-yl]methyl]piperidine-4-carboxamide
CID 55837397
tert-butyl N-[1-[[1-(4-methoxyphenyl)benzimidazol-2-yl]methyl]piperidin-4-yl]carbamate
CID 60512394
[1-[[1-(4-bromophenyl)benzimidazol-2-yl]methyl]piperidin-4-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 124818740
[1-[[1-(4-bromophenyl)benzimidazol-2-yl]methyl]piperidin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 124792119
[1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 124791723
1-[[1-(4-bromophenyl)benzimidazol-2-yl]methyl]-N-propan-2-ylpiperidine-4-carboxamide
CID 124805858
(4-benzylpiperazin-1-yl)-[1-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]piperidin-4-yl]methanone
CID 124797684
1-[[1-(4-bromophenyl)benzimidazol-2-yl]methyl]-N-[(4-bromophenyl)methyl]piperidine-4-carboxamide
CID 124781631
1-[[1-(4-bromophenyl)benzimidazol-2-yl]methyl]-N-butylpiperidine-4-carboxamide
CID 124823860
N,N-dibutyl-1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]piperidine-4-carboxamide
CID 124823903
1-[[1-(4-bromophenyl)benzimidazol-2-yl]methyl]-N-butyl-N-ethylpiperidine-4-carboxamide
CID 124824843
N-butyl-N-ethyl-1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]piperidine-4-carboxamide
CID 124825915

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(4-methoxyphenyl)benzimidazol-2-yl]methyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[[1-(4-methoxyphenyl)benzimidazol-2-yl]methyl]piperidine-4-carboxylic acid (CID 119908334) is 1-[[1-(4-methoxyphenyl)benzimidazol-2-yl]methyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[[1-(4-methoxyphenyl)benzimidazol-2-yl]methyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[[1-(4-methoxyphenyl)benzimidazol-2-yl]methyl]piperidine-4-carboxylic acid is COc1ccc(-n2c(CN3CCC(C(=O)O)CC3)nc3ccccc32)cc1.
What is the InChIKey of 1-[[1-(4-methoxyphenyl)benzimidazol-2-yl]methyl]piperidine-4-carboxylic acid?
The InChIKey is XNABLFDNBHUULE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-27-17-8-6-16(7-9-17)24-19-5-3-2-4-18(19)22-20(24)14-23-12-10-15(11-13-23)21(25)26/h2-9,15H,10-14H2,1H3,(H,25,26).
What are the key properties of 1-[[1-(4-methoxyphenyl)benzimidazol-2-yl]methyl]piperidine-4-carboxylic acid?
1-[[1-(4-methoxyphenyl)benzimidazol-2-yl]methyl]piperidine-4-carboxylic acid has a molecular weight of 365.43 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(4-methoxyphenyl)benzimidazol-2-yl]methyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 119908334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).