2-[1-[(3S)-3,4-dihydro-2H-chromen-3-yl]piperidin-4-yl]-6-fluoro-1H-benzimidazole

C21H22FN3O — CID 29256848

IUPAC2-[1-[(3S)-3,4-dihydro-2H-chromen-3-yl]piperidin-4-yl]-6-fluoro-1H-benzimidazole
SMILESFc1ccc2nc(C3CCN([C@@H]4COc5ccccc5C4)CC3)[nH]c2c1
InChIInChI=1S/C21H22FN3O/c22-16-5-6-18-19(12-16)24-21(23-18)14-7-9-25(10-8-14)17-11-15-3-1-2-4-20(15)26-13-17/h1-6,12,14,17H,7-11,13H2,(H,23,24)/t17-/m0/s1
InChIKeyQVXRBQUBADZCEW-KRWDZBQOSA-N
MW351.42 g/mol
LogP3.89
Rot. Bonds2

About 2-[1-[(3S)-3,4-dihydro-2H-chromen-3-yl]piperidin-4-yl]-6-fluoro-1H-benzimidazole

2-[1-[(3S)-3,4-dihydro-2H-chromen-3-yl]piperidin-4-yl]-6-fluoro-1H-benzimidazole (PubChem CID 29256848) has the molecular formula C21H22FN3O and a molecular weight of 351.42 g/mol. Its IUPAC name is 2-[1-[(3S)-3,4-dihydro-2H-chromen-3-yl]piperidin-4-yl]-6-fluoro-1H-benzimidazole.

Molecular Properties

Compound Name2-[1-[(3S)-3,4-dihydro-2H-chromen-3-yl]piperidin-4-yl]-6-fluoro-1H-benzimidazole
PubChem CID29256848
Molecular FormulaC21H22FN3O
Molecular Weight351.42 g/mol
Exact Mass351.17
IUPAC Name2-[1-[(3S)-3,4-dihydro-2H-chromen-3-yl]piperidin-4-yl]-6-fluoro-1H-benzimidazole
SMILESFc1ccc2nc(C3CCN([C@@H]4COc5ccccc5C4)CC3)[nH]c2c1
InChIInChI=1S/C21H22FN3O/c22-16-5-6-18-19(12-16)24-21(23-18)14-7-9-25(10-8-14)17-11-15-3-1-2-4-20(15)26-13-17/h1-6,12,14,17H,7-11,13H2,(H,23,24)/t17-/m0/s1
InChIKeyQVXRBQUBADZCEW-KRWDZBQOSA-N
XLogP3.89
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.42
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dihydro-2H-chromen-3-yl)-6-methyl-1H-benzimidazole
CID 63590184
1-(3,4-dihydro-2H-chromen-3-yl)-4-(2,3-dihydro-1H-inden-2-yl)-1,4-diazepane
CID 56859547
2-(3,4-dihydro-2H-chromen-3-yl)-3H-imidazo[4,5-c]pyridine
CID 55213366
(Z)-3-[2-(3,4-dihydro-2H-chromen-3-yl)-3H-benzimidazol-5-yl]-4-iminobut-2-en-2-amine
CID 143822032
1-(3,4-dihydro-2H-chromen-3-yl)-4-methylpiperazine
CID 68706500
(3-benzylazetidin-3-yl)-[4-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]methanone
CID 166618672
2-(6-fluoro-1H-benzimidazol-2-yl)-3,4-dihydro-2H-1,4-benzoxazine
CID 60784691
N,N-diethyl-2-[4-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]ethanamine;formic acid
CID 172913026
4-[4-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-6-methoxypyrimidin-2-amine
CID 72846151
2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]-1H-benzimidazole
CID 43817655
8-[4-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-6,7-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine
CID 176501441
2-[1-(2,5-difluorophenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole
CID 18575330

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3S)-3,4-dihydro-2H-chromen-3-yl]piperidin-4-yl]-6-fluoro-1H-benzimidazole?
The IUPAC name of 2-[1-[(3S)-3,4-dihydro-2H-chromen-3-yl]piperidin-4-yl]-6-fluoro-1H-benzimidazole (CID 29256848) is 2-[1-[(3S)-3,4-dihydro-2H-chromen-3-yl]piperidin-4-yl]-6-fluoro-1H-benzimidazole.
What is the SMILES notation for 2-[1-[(3S)-3,4-dihydro-2H-chromen-3-yl]piperidin-4-yl]-6-fluoro-1H-benzimidazole?
The canonical SMILES for 2-[1-[(3S)-3,4-dihydro-2H-chromen-3-yl]piperidin-4-yl]-6-fluoro-1H-benzimidazole is Fc1ccc2nc(C3CCN([C@@H]4COc5ccccc5C4)CC3)[nH]c2c1.
What is the InChIKey of 2-[1-[(3S)-3,4-dihydro-2H-chromen-3-yl]piperidin-4-yl]-6-fluoro-1H-benzimidazole?
The InChIKey is QVXRBQUBADZCEW-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H22FN3O/c22-16-5-6-18-19(12-16)24-21(23-18)14-7-9-25(10-8-14)17-11-15-3-1-2-4-20(15)26-13-17/h1-6,12,14,17H,7-11,13H2,(H,23,24)/t17-/m0/s1.
What are the key properties of 2-[1-[(3S)-3,4-dihydro-2H-chromen-3-yl]piperidin-4-yl]-6-fluoro-1H-benzimidazole?
2-[1-[(3S)-3,4-dihydro-2H-chromen-3-yl]piperidin-4-yl]-6-fluoro-1H-benzimidazole has a molecular weight of 351.42 g/mol, XLogP of 3.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3S)-3,4-dihydro-2H-chromen-3-yl]piperidin-4-yl]-6-fluoro-1H-benzimidazole is sourced from PubChem (CID 29256848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).