1-(difluoromethyl)-2-[(4-methylpiperidin-1-yl)methyl]benzimidazole

C15H19F2N3 — CID 134000947

IUPAC1-(difluoromethyl)-2-[(4-methylpiperidin-1-yl)methyl]benzimidazole
SMILESCC1CCN(Cc2nc3ccccc3n2C(F)F)CC1
InChIInChI=1S/C15H19F2N3/c1-11-6-8-19(9-7-11)10-14-18-12-4-2-3-5-13(12)20(14)15(16)17/h2-5,11,15H,6-10H2,1H3
InChIKeyHWTPYYKZTAYUFU-UHFFFAOYSA-N
MW279.33 g/mol
LogP3.66
Rot. Bonds3

About 1-(difluoromethyl)-2-[(4-methylpiperidin-1-yl)methyl]benzimidazole

1-(difluoromethyl)-2-[(4-methylpiperidin-1-yl)methyl]benzimidazole (PubChem CID 134000947) has the molecular formula C15H19F2N3 and a molecular weight of 279.33 g/mol. Its IUPAC name is 1-(difluoromethyl)-2-[(4-methylpiperidin-1-yl)methyl]benzimidazole.

Molecular Properties

Compound Name1-(difluoromethyl)-2-[(4-methylpiperidin-1-yl)methyl]benzimidazole
PubChem CID134000947
Molecular FormulaC15H19F2N3
Molecular Weight279.33 g/mol
Exact Mass279.15
IUPAC Name1-(difluoromethyl)-2-[(4-methylpiperidin-1-yl)methyl]benzimidazole
SMILESCC1CCN(Cc2nc3ccccc3n2C(F)F)CC1
InChIInChI=1S/C15H19F2N3/c1-11-6-8-19(9-7-11)10-14-18-12-4-2-3-5-13(12)20(14)15(16)17/h2-5,11,15H,6-10H2,1H3
InChIKeyHWTPYYKZTAYUFU-UHFFFAOYSA-N
XLogP3.66
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.33
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-2-[(4-methylpiperidin-1-yl)methyl]benzimidazole
CID 6491167
(3S)-1-[[1-(difluoromethyl)benzimidazol-2-yl]methyl]piperidin-3-ol
CID 94033633
2-[(4-methylpiperidin-1-yl)methyl]-1-propylbenzimidazole
CID 6491176
N,N-di(propan-2-yl)-1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]piperidine-4-carboxamide
CID 124821668
3-[1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]piperidin-4-yl]-1,3-benzoxazol-2-one
CID 92581589
2-[3-[1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]piperidin-4-yl]propyl]phenol
CID 70313269
1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]-N,N-dipropylpiperidine-4-carboxamide
CID 124808590
2-[[4-benzyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1-(difluoromethyl)benzimidazole
CID 32753162
N-[2-[(4-methylpiperidin-1-yl)methyl]-1-propan-2-ylbenzimidazol-5-yl]acetamide
CID 53003175
[4-(2-hydroxyethyl)piperazin-1-yl]-[1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]piperidin-4-yl]methanone
CID 124805714
2-[[4-(2-methylsulfonylethyl)piperazin-1-yl]methyl]-1-propan-2-ylbenzimidazole
CID 77090480
2-[2-(morpholin-4-ylmethyl)benzimidazol-1-yl]propanoic acid
CID 82311029

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-2-[(4-methylpiperidin-1-yl)methyl]benzimidazole?
The IUPAC name of 1-(difluoromethyl)-2-[(4-methylpiperidin-1-yl)methyl]benzimidazole (CID 134000947) is 1-(difluoromethyl)-2-[(4-methylpiperidin-1-yl)methyl]benzimidazole.
What is the SMILES notation for 1-(difluoromethyl)-2-[(4-methylpiperidin-1-yl)methyl]benzimidazole?
The canonical SMILES for 1-(difluoromethyl)-2-[(4-methylpiperidin-1-yl)methyl]benzimidazole is CC1CCN(Cc2nc3ccccc3n2C(F)F)CC1.
What is the InChIKey of 1-(difluoromethyl)-2-[(4-methylpiperidin-1-yl)methyl]benzimidazole?
The InChIKey is HWTPYYKZTAYUFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2N3/c1-11-6-8-19(9-7-11)10-14-18-12-4-2-3-5-13(12)20(14)15(16)17/h2-5,11,15H,6-10H2,1H3.
What are the key properties of 1-(difluoromethyl)-2-[(4-methylpiperidin-1-yl)methyl]benzimidazole?
1-(difluoromethyl)-2-[(4-methylpiperidin-1-yl)methyl]benzimidazole has a molecular weight of 279.33 g/mol, XLogP of 3.66, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-2-[(4-methylpiperidin-1-yl)methyl]benzimidazole is sourced from PubChem (CID 134000947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).