2-[1-[(3-methylimidazol-4-yl)methyl]piperidin-2-yl]-1H-benzimidazole

C17H21N5 — CID 77079706

IUPAC2-[1-[(3-methylimidazol-4-yl)methyl]piperidin-2-yl]-1H-benzimidazole
SMILESCn1cncc1CN1CCCCC1c1nc2ccccc2[nH]1
InChIInChI=1S/C17H21N5/c1-21-12-18-10-13(21)11-22-9-5-4-8-16(22)17-19-14-6-2-3-7-15(14)20-17/h2-3,6-7,10,12,16H,4-5,8-9,11H2,1H3,(H,19,20)
InChIKeyVFZOLUZKQUCSPR-UHFFFAOYSA-N
MW295.39 g/mol
LogP3.02
Rot. Bonds3

About 2-[1-[(3-methylimidazol-4-yl)methyl]piperidin-2-yl]-1H-benzimidazole

2-[1-[(3-methylimidazol-4-yl)methyl]piperidin-2-yl]-1H-benzimidazole (PubChem CID 77079706) has the molecular formula C17H21N5 and a molecular weight of 295.39 g/mol. Its IUPAC name is 2-[1-[(3-methylimidazol-4-yl)methyl]piperidin-2-yl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[1-[(3-methylimidazol-4-yl)methyl]piperidin-2-yl]-1H-benzimidazole
PubChem CID77079706
Molecular FormulaC17H21N5
Molecular Weight295.39 g/mol
Exact Mass295.18
IUPAC Name2-[1-[(3-methylimidazol-4-yl)methyl]piperidin-2-yl]-1H-benzimidazole
SMILESCn1cncc1CN1CCCCC1c1nc2ccccc2[nH]1
InChIInChI=1S/C17H21N5/c1-21-12-18-10-13(21)11-22-9-5-4-8-16(22)17-19-14-6-2-3-7-15(14)20-17/h2-3,6-7,10,12,16H,4-5,8-9,11H2,1H3,(H,19,20)
InChIKeyVFZOLUZKQUCSPR-UHFFFAOYSA-N
XLogP3.02
TPSA49.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[(1-phenyltriazol-4-yl)methyl]piperidin-2-yl]-1H-benzimidazole
CID 56897456
4-[[(2S)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-1,3-thiazole
CID 99958850
4-[[2-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-1,3-thiazole
CID 77097504
5-[[(2R)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-3-(2-methoxyethyl)-1,2,4-oxadiazole
CID 124753344
2-[[(2S)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-1H-quinolin-4-one
CID 97138643
2-[(2S)-1-[3-(2-methylimidazol-1-yl)propyl]piperidin-2-yl]-1H-benzimidazole
CID 124757526
4-[1-[(3-methylimidazol-4-yl)methyl]piperidin-2-yl]pyrimidine
CID 110271171
[5-[[2-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-2-ethoxyphenyl]methanol
CID 74233620
(E)-3-[4-[[2-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]phenyl]prop-2-enoic acid
CID 110166541
7-[[(2S)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 125165240
[(2R)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 124986227
1-[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]ethanone
CID 43841790

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-methylimidazol-4-yl)methyl]piperidin-2-yl]-1H-benzimidazole?
The IUPAC name of 2-[1-[(3-methylimidazol-4-yl)methyl]piperidin-2-yl]-1H-benzimidazole (CID 77079706) is 2-[1-[(3-methylimidazol-4-yl)methyl]piperidin-2-yl]-1H-benzimidazole.
What is the SMILES notation for 2-[1-[(3-methylimidazol-4-yl)methyl]piperidin-2-yl]-1H-benzimidazole?
The canonical SMILES for 2-[1-[(3-methylimidazol-4-yl)methyl]piperidin-2-yl]-1H-benzimidazole is Cn1cncc1CN1CCCCC1c1nc2ccccc2[nH]1.
What is the InChIKey of 2-[1-[(3-methylimidazol-4-yl)methyl]piperidin-2-yl]-1H-benzimidazole?
The InChIKey is VFZOLUZKQUCSPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5/c1-21-12-18-10-13(21)11-22-9-5-4-8-16(22)17-19-14-6-2-3-7-15(14)20-17/h2-3,6-7,10,12,16H,4-5,8-9,11H2,1H3,(H,19,20).
What are the key properties of 2-[1-[(3-methylimidazol-4-yl)methyl]piperidin-2-yl]-1H-benzimidazole?
2-[1-[(3-methylimidazol-4-yl)methyl]piperidin-2-yl]-1H-benzimidazole has a molecular weight of 295.39 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-methylimidazol-4-yl)methyl]piperidin-2-yl]-1H-benzimidazole is sourced from PubChem (CID 77079706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).