2-[2-(4-fluoro-1-methylbenzimidazol-2-yl)ethylcarbamoyl]cyclobutane-1-carboxylic acid

C16H18FN3O3 — CID 120976059

IUPAC2-[2-(4-fluoro-1-methylbenzimidazol-2-yl)ethylcarbamoyl]cyclobutane-1-carboxylic acid
SMILESCn1c(CCNC(=O)C2CCC2C(=O)O)nc2c(F)cccc21
InChIInChI=1S/C16H18FN3O3/c1-20-12-4-2-3-11(17)14(12)19-13(20)7-8-18-15(21)9-5-6-10(9)16(22)23/h2-4,9-10H,5-8H2,1H3,(H,18,21)(H,22,23)
InChIKeySPRZURVKRXZSHY-UHFFFAOYSA-N
MW319.34 g/mol
LogP1.48
Rot. Bonds5

About 2-[2-(4-fluoro-1-methylbenzimidazol-2-yl)ethylcarbamoyl]cyclobutane-1-carboxylic acid

2-[2-(4-fluoro-1-methylbenzimidazol-2-yl)ethylcarbamoyl]cyclobutane-1-carboxylic acid (PubChem CID 120976059) has the molecular formula C16H18FN3O3 and a molecular weight of 319.34 g/mol. Its IUPAC name is 2-[2-(4-fluoro-1-methylbenzimidazol-2-yl)ethylcarbamoyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name2-[2-(4-fluoro-1-methylbenzimidazol-2-yl)ethylcarbamoyl]cyclobutane-1-carboxylic acid
PubChem CID120976059
Molecular FormulaC16H18FN3O3
Molecular Weight319.34 g/mol
Exact Mass319.13
IUPAC Name2-[2-(4-fluoro-1-methylbenzimidazol-2-yl)ethylcarbamoyl]cyclobutane-1-carboxylic acid
SMILESCn1c(CCNC(=O)C2CCC2C(=O)O)nc2c(F)cccc21
InChIInChI=1S/C16H18FN3O3/c1-20-12-4-2-3-11(17)14(12)19-13(20)7-8-18-15(21)9-5-6-10(9)16(22)23/h2-4,9-10H,5-8H2,1H3,(H,18,21)(H,22,23)
InChIKeySPRZURVKRXZSHY-UHFFFAOYSA-N
XLogP1.48
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

trans-(1R,2R)-2-(2,3-dichlorophenyl)-N-[2-(4-fluoro-1-methylbenzimidazol-2-yl)ethyl]cyclopropane-1-carboxamide
CID 99806798
N-[2-(4-fluoro-1-methylbenzimidazol-2-yl)ethyl]piperidine-3-carboxamide
CID 119883596
3-[2-(4-fluoro-1-methylbenzimidazol-2-yl)ethylamino]-2-methyl-3-oxopropanoic acid
CID 122065547
4-[3-[2-(4-fluoro-1-methylbenzimidazol-2-yl)ethylamino]-3-oxopropyl]benzoic acid
CID 119184720
2-[2-(2-fluorophenyl)ethylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120974497
N-[2-(4-fluoro-1-methylbenzimidazol-2-yl)ethyl]-3-methoxy-4-phenylmethoxybenzamide
CID 86906316
2-ethyl-5-[2-(4-fluoro-1-methylbenzimidazol-2-yl)ethylcarbamoyl]furan-3-carboxylic acid
CID 120821778
(2R)-2-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-fluoro-1-methylbenzimidazol-2-yl)ethyl]propanamide
CID 95621264
2-(4-fluoro-1-methylbenzimidazol-2-yl)-4-methylcyclopentane-1-carboxylic acid
CID 114391714
(E)-3-(2,4-dimethylphenyl)-N-[2-(4-fluoro-1-methylbenzimidazol-2-yl)ethyl]prop-2-enamide
CID 86935842
2-fluoro-N-[2-(4-fluoro-1-methylbenzimidazol-2-yl)ethyl]-5-(propan-2-ylsulfamoyl)benzamide
CID 86935839
cis-(1R,2S)-2-[(4-fluoro-1-methylindazol-3-yl)carbamoyl]cyclobutane-1-carboxylic acid
CID 6926869

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluoro-1-methylbenzimidazol-2-yl)ethylcarbamoyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 2-[2-(4-fluoro-1-methylbenzimidazol-2-yl)ethylcarbamoyl]cyclobutane-1-carboxylic acid (CID 120976059) is 2-[2-(4-fluoro-1-methylbenzimidazol-2-yl)ethylcarbamoyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 2-[2-(4-fluoro-1-methylbenzimidazol-2-yl)ethylcarbamoyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 2-[2-(4-fluoro-1-methylbenzimidazol-2-yl)ethylcarbamoyl]cyclobutane-1-carboxylic acid is Cn1c(CCNC(=O)C2CCC2C(=O)O)nc2c(F)cccc21.
What is the InChIKey of 2-[2-(4-fluoro-1-methylbenzimidazol-2-yl)ethylcarbamoyl]cyclobutane-1-carboxylic acid?
The InChIKey is SPRZURVKRXZSHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O3/c1-20-12-4-2-3-11(17)14(12)19-13(20)7-8-18-15(21)9-5-6-10(9)16(22)23/h2-4,9-10H,5-8H2,1H3,(H,18,21)(H,22,23).
What are the key properties of 2-[2-(4-fluoro-1-methylbenzimidazol-2-yl)ethylcarbamoyl]cyclobutane-1-carboxylic acid?
2-[2-(4-fluoro-1-methylbenzimidazol-2-yl)ethylcarbamoyl]cyclobutane-1-carboxylic acid has a molecular weight of 319.34 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluoro-1-methylbenzimidazol-2-yl)ethylcarbamoyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 120976059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).