1-[(2-fluorophenyl)methyl]-3-[2-(2-methylbenzimidazol-1-yl)ethyl]urea

C18H19FN4O — CID 38946290

IUPAC1-[(2-fluorophenyl)methyl]-3-[2-(2-methylbenzimidazol-1-yl)ethyl]urea
SMILESCc1nc2ccccc2n1CCNC(=O)NCc1ccccc1F
InChIInChI=1S/C18H19FN4O/c1-13-22-16-8-4-5-9-17(16)23(13)11-10-20-18(24)21-12-14-6-2-3-7-15(14)19/h2-9H,10-12H2,1H3,(H2,20,21,24)
InChIKeyMPGXFAFMIKZVES-UHFFFAOYSA-N
MW326.38 g/mol
LogP2.98
Rot. Bonds5

About 1-[(2-fluorophenyl)methyl]-3-[2-(2-methylbenzimidazol-1-yl)ethyl]urea

1-[(2-fluorophenyl)methyl]-3-[2-(2-methylbenzimidazol-1-yl)ethyl]urea (PubChem CID 38946290) has the molecular formula C18H19FN4O and a molecular weight of 326.38 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-3-[2-(2-methylbenzimidazol-1-yl)ethyl]urea.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-3-[2-(2-methylbenzimidazol-1-yl)ethyl]urea
PubChem CID38946290
Molecular FormulaC18H19FN4O
Molecular Weight326.38 g/mol
Exact Mass326.15
IUPAC Name1-[(2-fluorophenyl)methyl]-3-[2-(2-methylbenzimidazol-1-yl)ethyl]urea
SMILESCc1nc2ccccc2n1CCNC(=O)NCc1ccccc1F
InChIInChI=1S/C18H19FN4O/c1-13-22-16-8-4-5-9-17(16)23(13)11-10-20-18(24)21-12-14-6-2-3-7-15(14)19/h2-9H,10-12H2,1H3,(H2,20,21,24)
InChIKeyMPGXFAFMIKZVES-UHFFFAOYSA-N
XLogP2.98
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-difluorophenyl)-3-[2-(2-methylbenzimidazol-1-yl)ethyl]urea
CID 46287063
1-(3-hydroxybutyl)-3-[2-(2-methylbenzimidazol-1-yl)ethyl]urea
CID 111337075
1-ethyl-2-[(2-fluorophenyl)methyl]-3-[2-(2-methylbenzimidazol-1-yl)ethyl]guanidine
CID 111265367
ethyl 3-[2-(2-methylbenzimidazol-1-yl)ethylcarbamoylamino]propanoate
CID 46287068
(2S)-2-amino-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide
CID 78968968
2-fluoro-N-[2-[2-(2-methylbenzimidazol-1-yl)ethylamino]-2-oxoethyl]benzamide
CID 17395811
5-amino-2-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]pentanamide
CID 104684754
(2S)-2-amino-4-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]pentanamide
CID 61274419
N-[3-[2-(2-methylbenzimidazol-1-yl)ethylamino]-3-oxopropyl]benzamide
CID 26444000
(2R)-2-amino-3,3-dimethyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]butanamide
CID 103929612
1-(4-acetylphenyl)-3-[2-(2-methylbenzimidazol-1-yl)ethyl]urea
CID 71898971
1-(4-hydroxy-3-methylbutan-2-yl)-3-[2-(2-methylbenzimidazol-1-yl)ethyl]urea
CID 111454104

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]-3-[2-(2-methylbenzimidazol-1-yl)ethyl]urea?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-3-[2-(2-methylbenzimidazol-1-yl)ethyl]urea (CID 38946290) is 1-[(2-fluorophenyl)methyl]-3-[2-(2-methylbenzimidazol-1-yl)ethyl]urea.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-3-[2-(2-methylbenzimidazol-1-yl)ethyl]urea?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-3-[2-(2-methylbenzimidazol-1-yl)ethyl]urea is Cc1nc2ccccc2n1CCNC(=O)NCc1ccccc1F.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-3-[2-(2-methylbenzimidazol-1-yl)ethyl]urea?
The InChIKey is MPGXFAFMIKZVES-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4O/c1-13-22-16-8-4-5-9-17(16)23(13)11-10-20-18(24)21-12-14-6-2-3-7-15(14)19/h2-9H,10-12H2,1H3,(H2,20,21,24).
What are the key properties of 1-[(2-fluorophenyl)methyl]-3-[2-(2-methylbenzimidazol-1-yl)ethyl]urea?
1-[(2-fluorophenyl)methyl]-3-[2-(2-methylbenzimidazol-1-yl)ethyl]urea has a molecular weight of 326.38 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]-3-[2-(2-methylbenzimidazol-1-yl)ethyl]urea is sourced from PubChem (CID 38946290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).