4-[4-fluoro-3-(1-methylbenzimidazol-2-yl)phenyl]piperazine-1-carboxylic acid

C19H19FN4O2 — CID 141237512

IUPAC4-[4-fluoro-3-(1-methylbenzimidazol-2-yl)phenyl]piperazine-1-carboxylic acid
SMILESCn1c(-c2cc(N3CCN(C(=O)O)CC3)ccc2F)nc2ccccc21
InChIInChI=1S/C19H19FN4O2/c1-22-17-5-3-2-4-16(17)21-18(22)14-12-13(6-7-15(14)20)23-8-10-24(11-9-23)19(25)26/h2-7,12H,8-11H2,1H3,(H,25,26)
InChIKeyPCLVMTSGRXGOER-UHFFFAOYSA-N
MW354.39 g/mol
LogP3.18
Rot. Bonds2

About 4-[4-fluoro-3-(1-methylbenzimidazol-2-yl)phenyl]piperazine-1-carboxylic acid

4-[4-fluoro-3-(1-methylbenzimidazol-2-yl)phenyl]piperazine-1-carboxylic acid (PubChem CID 141237512) has the molecular formula C19H19FN4O2 and a molecular weight of 354.39 g/mol. Its IUPAC name is 4-[4-fluoro-3-(1-methylbenzimidazol-2-yl)phenyl]piperazine-1-carboxylic acid.

Molecular Properties

Compound Name4-[4-fluoro-3-(1-methylbenzimidazol-2-yl)phenyl]piperazine-1-carboxylic acid
PubChem CID141237512
Molecular FormulaC19H19FN4O2
Molecular Weight354.39 g/mol
Exact Mass354.15
IUPAC Name4-[4-fluoro-3-(1-methylbenzimidazol-2-yl)phenyl]piperazine-1-carboxylic acid
SMILESCn1c(-c2cc(N3CCN(C(=O)O)CC3)ccc2F)nc2ccccc21
InChIInChI=1S/C19H19FN4O2/c1-22-17-5-3-2-4-16(17)21-18(22)14-12-13(6-7-15(14)20)23-8-10-24(11-9-23)19(25)26/h2-7,12H,8-11H2,1H3,(H,25,26)
InChIKeyPCLVMTSGRXGOER-UHFFFAOYSA-N
XLogP3.18
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.39
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[4-fluoro-3-(1-methylbenzimidazol-2-yl)phenyl]piperazine-1-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

2-methyl-1-[4-[3-(1-methylbenzimidazol-2-yl)phenyl]piperazin-1-yl]propan-1-one
CID 59568379
2-methoxy-1-[4-[3-(1-methylbenzimidazol-2-yl)phenyl]piperazin-1-yl]ethanone
CID 59568242
1-methyl-3-(4-phenylpiperazine-1-carbonyl)quinoxalin-2-one
CID 46365024
1-[4-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperazin-1-yl]-2-hydroxyethanone
CID 67971928
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(1-methylbenzimidazol-2-yl)sulfanylethanone
CID 40673779
[4-[3-(1-methylbenzimidazol-2-yl)phenyl]-1,4-diazepan-1-yl]-[(2S)-1-methylpyrrolidin-2-yl]methanone
CID 59568257
1-[1-[5-fluoro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]-3-methylurea
CID 67971597
4-quinolin-3-ylpiperazine-1-carboxylic acid
CID 69402111
N-(2,4-difluorophenyl)-4-(1-methylbenzimidazol-2-yl)piperazine-1-carboxamide
CID 46375509
2-(1-methylbenzimidazol-2-yl)phenol
CID 139198195
[1-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]piperidin-3-yl]-(4-methylpiperazin-1-yl)methanone;[1-[4-chloro-3-(3H-indol-2-yl)phenyl]piperidin-4-yl]-(1,4-diazepan-1-yl)methanone;[1-[4-chloro-3-(3H-indol-2-yl)phenyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone;[1-[4-fluoro-3-(1-methylbenzimidazol-2-yl)phenyl]piperidin-4-yl]-piperidin-1-ylmethanone;hydrochloride
CID 160932522
4-methyl-6-(1-methylbenzimidazol-2-yl)pyridine-2-carboxylic acid
CID 134595074

Frequently Asked Questions

What is the IUPAC name of 4-[4-fluoro-3-(1-methylbenzimidazol-2-yl)phenyl]piperazine-1-carboxylic acid?
The IUPAC name of 4-[4-fluoro-3-(1-methylbenzimidazol-2-yl)phenyl]piperazine-1-carboxylic acid (CID 141237512) is 4-[4-fluoro-3-(1-methylbenzimidazol-2-yl)phenyl]piperazine-1-carboxylic acid.
What is the SMILES notation for 4-[4-fluoro-3-(1-methylbenzimidazol-2-yl)phenyl]piperazine-1-carboxylic acid?
The canonical SMILES for 4-[4-fluoro-3-(1-methylbenzimidazol-2-yl)phenyl]piperazine-1-carboxylic acid is Cn1c(-c2cc(N3CCN(C(=O)O)CC3)ccc2F)nc2ccccc21.
What is the InChIKey of 4-[4-fluoro-3-(1-methylbenzimidazol-2-yl)phenyl]piperazine-1-carboxylic acid?
The InChIKey is PCLVMTSGRXGOER-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O2/c1-22-17-5-3-2-4-16(17)21-18(22)14-12-13(6-7-15(14)20)23-8-10-24(11-9-23)19(25)26/h2-7,12H,8-11H2,1H3,(H,25,26).
What are the key properties of 4-[4-fluoro-3-(1-methylbenzimidazol-2-yl)phenyl]piperazine-1-carboxylic acid?
4-[4-fluoro-3-(1-methylbenzimidazol-2-yl)phenyl]piperazine-1-carboxylic acid has a molecular weight of 354.39 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-fluoro-3-(1-methylbenzimidazol-2-yl)phenyl]piperazine-1-carboxylic acid is sourced from PubChem (CID 141237512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).