1-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-1-methyl-3-(1-pyridin-3-ylpentyl)urea

C20H24FN5O — CID 122566085

IUPAC1-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-1-methyl-3-(1-pyridin-3-ylpentyl)urea
SMILESCCCCC(NC(=O)N(C)Cc1nc2ccc(F)cc2[nH]1)c1cccnc1
InChIInChI=1S/C20H24FN5O/c1-3-4-7-16(14-6-5-10-22-12-14)25-20(27)26(2)13-19-23-17-9-8-15(21)11-18(17)24-19/h5-6,8-12,16H,3-4,7,13H2,1-2H3,(H,23,24)(H,25,27)
InChIKeyMJWUQVDMLWOAIV-UHFFFAOYSA-N
MW369.44 g/mol
LogP4.17
Rot. Bonds7

About 1-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-1-methyl-3-(1-pyridin-3-ylpentyl)urea

1-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-1-methyl-3-(1-pyridin-3-ylpentyl)urea (PubChem CID 122566085) has the molecular formula C20H24FN5O and a molecular weight of 369.44 g/mol. Its IUPAC name is 1-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-1-methyl-3-(1-pyridin-3-ylpentyl)urea.

Molecular Properties

Compound Name1-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-1-methyl-3-(1-pyridin-3-ylpentyl)urea
PubChem CID122566085
Molecular FormulaC20H24FN5O
Molecular Weight369.44 g/mol
Exact Mass369.20
IUPAC Name1-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-1-methyl-3-(1-pyridin-3-ylpentyl)urea
SMILESCCCCC(NC(=O)N(C)Cc1nc2ccc(F)cc2[nH]1)c1cccnc1
InChIInChI=1S/C20H24FN5O/c1-3-4-7-16(14-6-5-10-22-12-14)25-20(27)26(2)13-19-23-17-9-8-15(21)11-18(17)24-19/h5-6,8-12,16H,3-4,7,13H2,1-2H3,(H,23,24)(H,25,27)
InChIKeyMJWUQVDMLWOAIV-UHFFFAOYSA-N
XLogP4.17
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]butan-1-amine
CID 82335865
3-fluoro-N-[(1S)-1-pyridin-3-ylpentyl]pyridine-4-carboxamide
CID 125447618
1-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-1-methyl-3-[[(3S)-1-propylpyrrolidin-3-yl]methyl]urea
CID 125446054
1-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-1-methyl-3-[3-(1-methylpyrazol-4-yl)propyl]urea
CID 122566230
1-(2-butyl-1H-imidazol-5-yl)-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methylmethanamine
CID 131930499
2-(2-ethylimidazol-1-yl)-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methylacetamide
CID 91829331
3-[(2,5-difluorophenyl)methyl]-1-methyl-1-(1-pyridin-3-ylpentyl)urea
CID 119065675
7-fluoro-N,2-dimethyl-N-[(1S)-1-pyridin-3-ylpentyl]quinoline-4-carboxamide
CID 96580826
6-fluoro-N-(1-pyridin-3-ylethyl)-1H-benzimidazol-2-amine
CID 103294715
6-fluoro-2-undecyl-1H-benzimidazole
CID 65428080
N-ethyl-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]ethanamine
CID 82335854
N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methyl-2-(1-methylpyrrol-2-yl)-2-oxoacetamide
CID 56874874

Frequently Asked Questions

What is the IUPAC name of 1-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-1-methyl-3-(1-pyridin-3-ylpentyl)urea?
The IUPAC name of 1-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-1-methyl-3-(1-pyridin-3-ylpentyl)urea (CID 122566085) is 1-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-1-methyl-3-(1-pyridin-3-ylpentyl)urea.
What is the SMILES notation for 1-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-1-methyl-3-(1-pyridin-3-ylpentyl)urea?
The canonical SMILES for 1-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-1-methyl-3-(1-pyridin-3-ylpentyl)urea is CCCCC(NC(=O)N(C)Cc1nc2ccc(F)cc2[nH]1)c1cccnc1.
What is the InChIKey of 1-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-1-methyl-3-(1-pyridin-3-ylpentyl)urea?
The InChIKey is MJWUQVDMLWOAIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN5O/c1-3-4-7-16(14-6-5-10-22-12-14)25-20(27)26(2)13-19-23-17-9-8-15(21)11-18(17)24-19/h5-6,8-12,16H,3-4,7,13H2,1-2H3,(H,23,24)(H,25,27).
What are the key properties of 1-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-1-methyl-3-(1-pyridin-3-ylpentyl)urea?
1-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-1-methyl-3-(1-pyridin-3-ylpentyl)urea has a molecular weight of 369.44 g/mol, XLogP of 4.17, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-1-methyl-3-(1-pyridin-3-ylpentyl)urea is sourced from PubChem (CID 122566085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).