2-fluoro-6-[[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]amino]benzonitrile

C19H17FN4O — CID 35784561

IUPAC2-fluoro-6-[[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]amino]benzonitrile
SMILESCOc1ccc([C@@H](Nc2cccc(F)c2C#N)c2nccn2C)cc1
InChIInChI=1S/C19H17FN4O/c1-24-11-10-22-19(24)18(13-6-8-14(25-2)9-7-13)23-17-5-3-4-16(20)15(17)12-21/h3-11,18,23H,1-2H3/t18-/m1/s1
InChIKeyIUNFELLGJBSFAI-GOSISDBHSA-N
MW336.37 g/mol
LogP3.64
Rot. Bonds5

About 2-fluoro-6-[[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]amino]benzonitrile

2-fluoro-6-[[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]amino]benzonitrile (PubChem CID 35784561) has the molecular formula C19H17FN4O and a molecular weight of 336.37 g/mol. Its IUPAC name is 2-fluoro-6-[[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]amino]benzonitrile.

Molecular Properties

Compound Name2-fluoro-6-[[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]amino]benzonitrile
PubChem CID35784561
Molecular FormulaC19H17FN4O
Molecular Weight336.37 g/mol
Exact Mass336.14
IUPAC Name2-fluoro-6-[[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]amino]benzonitrile
SMILESCOc1ccc([C@@H](Nc2cccc(F)c2C#N)c2nccn2C)cc1
InChIInChI=1S/C19H17FN4O/c1-24-11-10-22-19(24)18(13-6-8-14(25-2)9-7-13)23-17-5-3-4-16(20)15(17)12-21/h3-11,18,23H,1-2H3/t18-/m1/s1
InChIKeyIUNFELLGJBSFAI-GOSISDBHSA-N
XLogP3.64
TPSA62.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-N-[(S)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]pyrimidin-2-amine
CID 35784614
2-fluoro-6-[[(1S)-1-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]benzonitrile
CID 97262113
N-[(S)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]tetrazolo[1,5-b]pyridazin-6-amine
CID 40939556
N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 42941869
3,5-difluoro-4-[[(1-methylimidazol-2-yl)-phenylmethyl]amino]benzonitrile
CID 51101929
3,5-difluoro-4-[[(S)-(1-methylimidazol-2-yl)-phenylmethyl]amino]benzonitrile
CID 94816378
N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide
CID 46528475
5-[(4-fluorophenyl)methyl]-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 133466261
6-[[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]amino]pyridine-2-carbonitrile
CID 133331028
3-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,1-dimethylurea
CID 110429250
N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1H-pyrrole-2-carboxamide
CID 110429336
(2R)-4-methoxy-N-[(S)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]butan-2-amine
CID 97321749

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]amino]benzonitrile?
The IUPAC name of 2-fluoro-6-[[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]amino]benzonitrile (CID 35784561) is 2-fluoro-6-[[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]amino]benzonitrile.
What is the SMILES notation for 2-fluoro-6-[[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]amino]benzonitrile?
The canonical SMILES for 2-fluoro-6-[[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]amino]benzonitrile is COc1ccc([C@@H](Nc2cccc(F)c2C#N)c2nccn2C)cc1.
What is the InChIKey of 2-fluoro-6-[[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]amino]benzonitrile?
The InChIKey is IUNFELLGJBSFAI-GOSISDBHSA-N. The full InChI is InChI=1S/C19H17FN4O/c1-24-11-10-22-19(24)18(13-6-8-14(25-2)9-7-13)23-17-5-3-4-16(20)15(17)12-21/h3-11,18,23H,1-2H3/t18-/m1/s1.
What are the key properties of 2-fluoro-6-[[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]amino]benzonitrile?
2-fluoro-6-[[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]amino]benzonitrile has a molecular weight of 336.37 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-[[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]amino]benzonitrile is sourced from PubChem (CID 35784561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).