2-[3-fluoro-4-[(4-methylpiperidin-1-yl)methyl]phenyl]-1H-benzimidazole

C20H22FN3 — CID 168553765

IUPAC2-[3-fluoro-4-[(4-methylpiperidin-1-yl)methyl]phenyl]-1H-benzimidazole
SMILESCC1CCN(Cc2ccc(-c3nc4ccccc4[nH]3)cc2F)CC1
InChIInChI=1S/C20H22FN3/c1-14-8-10-24(11-9-14)13-16-7-6-15(12-17(16)21)20-22-18-4-2-3-5-19(18)23-20/h2-7,12,14H,8-11,13H2,1H3,(H,22,23)
InChIKeyLOGGRWQOTBGGAH-UHFFFAOYSA-N
MW323.42 g/mol
LogP4.60
Rot. Bonds3

About 2-[3-fluoro-4-[(4-methylpiperidin-1-yl)methyl]phenyl]-1H-benzimidazole

2-[3-fluoro-4-[(4-methylpiperidin-1-yl)methyl]phenyl]-1H-benzimidazole (PubChem CID 168553765) has the molecular formula C20H22FN3 and a molecular weight of 323.42 g/mol. Its IUPAC name is 2-[3-fluoro-4-[(4-methylpiperidin-1-yl)methyl]phenyl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[3-fluoro-4-[(4-methylpiperidin-1-yl)methyl]phenyl]-1H-benzimidazole
PubChem CID168553765
Molecular FormulaC20H22FN3
Molecular Weight323.42 g/mol
Exact Mass323.18
IUPAC Name2-[3-fluoro-4-[(4-methylpiperidin-1-yl)methyl]phenyl]-1H-benzimidazole
SMILESCC1CCN(Cc2ccc(-c3nc4ccccc4[nH]3)cc2F)CC1
InChIInChI=1S/C20H22FN3/c1-14-8-10-24(11-9-14)13-16-7-6-15(12-17(16)21)20-22-18-4-2-3-5-19(18)23-20/h2-7,12,14H,8-11,13H2,1H3,(H,22,23)
InChIKeyLOGGRWQOTBGGAH-UHFFFAOYSA-N
XLogP4.60
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-methoxy-3-[(4-methylpiperidin-1-yl)methyl]phenyl]-1H-benzimidazole
CID 168554818
[4-(1H-benzimidazol-2-yl)-2-fluorophenyl]methanol
CID 168555763
2-[6-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]-1H-benzimidazole
CID 17448653
4-[[5-(1H-benzimidazol-2-yl)-2-methoxyphenyl]methyl]thiomorpholine
CID 168554741
N-[4-(1H-benzimidazol-2-yl)phenyl]-1-[(2,3-difluorophenyl)methyl]piperidine-4-carboxamide
CID 42290175
2-[4-fluoro-3-(4-methylpiperazin-1-yl)phenyl]-1H-benzimidazole
CID 168555198
2-[2-[(3-methylpiperidin-1-yl)methyl]phenyl]-1H-benzimidazole
CID 168553890
2-[4-[3,5-bis[4-(1H-benzimidazol-2-yl)phenyl]phenyl]phenyl]-1H-benzimidazole
CID 102200427
3-fluoro-4-[(4-methylazepan-1-yl)methyl]aniline
CID 64769448
2-[1-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-1H-benzimidazole
CID 24731793
2-[4-[4-(1H-benzimidazol-2-yl)phenyl]phenyl]-1H-benzimidazole
CID 12522580
1-[[4-[3-(1H-benzimidazol-2-yl)phenyl]phenyl]methyl]piperidin-3-ol
CID 44526303

Frequently Asked Questions

What is the IUPAC name of 2-[3-fluoro-4-[(4-methylpiperidin-1-yl)methyl]phenyl]-1H-benzimidazole?
The IUPAC name of 2-[3-fluoro-4-[(4-methylpiperidin-1-yl)methyl]phenyl]-1H-benzimidazole (CID 168553765) is 2-[3-fluoro-4-[(4-methylpiperidin-1-yl)methyl]phenyl]-1H-benzimidazole.
What is the SMILES notation for 2-[3-fluoro-4-[(4-methylpiperidin-1-yl)methyl]phenyl]-1H-benzimidazole?
The canonical SMILES for 2-[3-fluoro-4-[(4-methylpiperidin-1-yl)methyl]phenyl]-1H-benzimidazole is CC1CCN(Cc2ccc(-c3nc4ccccc4[nH]3)cc2F)CC1.
What is the InChIKey of 2-[3-fluoro-4-[(4-methylpiperidin-1-yl)methyl]phenyl]-1H-benzimidazole?
The InChIKey is LOGGRWQOTBGGAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3/c1-14-8-10-24(11-9-14)13-16-7-6-15(12-17(16)21)20-22-18-4-2-3-5-19(18)23-20/h2-7,12,14H,8-11,13H2,1H3,(H,22,23).
What are the key properties of 2-[3-fluoro-4-[(4-methylpiperidin-1-yl)methyl]phenyl]-1H-benzimidazole?
2-[3-fluoro-4-[(4-methylpiperidin-1-yl)methyl]phenyl]-1H-benzimidazole has a molecular weight of 323.42 g/mol, XLogP of 4.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-fluoro-4-[(4-methylpiperidin-1-yl)methyl]phenyl]-1H-benzimidazole is sourced from PubChem (CID 168553765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).