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

C18H23N5 — CID 46981224

IUPAC2-[[3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]-1H-benzimidazole
SMILESCc1nccn1CC1CCCN(Cc2nc3ccccc3[nH]2)C1
InChIInChI=1S/C18H23N5/c1-14-19-8-10-23(14)12-15-5-4-9-22(11-15)13-18-20-16-6-2-3-7-17(16)21-18/h2-3,6-8,10,15H,4-5,9,11-13H2,1H3,(H,20,21)
InChIKeyPYDAMYCCIYKJKH-UHFFFAOYSA-N
MW309.42 g/mol
LogP2.98
Rot. Bonds4

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

2-[[3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]-1H-benzimidazole (PubChem CID 46981224) has the molecular formula C18H23N5 and a molecular weight of 309.42 g/mol. Its IUPAC name is 2-[[3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[[3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]-1H-benzimidazole
PubChem CID46981224
Molecular FormulaC18H23N5
Molecular Weight309.42 g/mol
Exact Mass309.20
IUPAC Name2-[[3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]-1H-benzimidazole
SMILESCc1nccn1CC1CCCN(Cc2nc3ccccc3[nH]2)C1
InChIInChI=1S/C18H23N5/c1-14-19-8-10-23(14)12-15-5-4-9-22(11-15)13-18-20-16-6-2-3-7-17(16)21-18/h2-3,6-8,10,15H,4-5,9,11-13H2,1H3,(H,20,21)
InChIKeyPYDAMYCCIYKJKH-UHFFFAOYSA-N
XLogP2.98
TPSA49.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.42
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[1-(1H-benzimidazol-2-ylmethyl)piperidin-3-yl]methyl]-1H-benzimidazole
CID 46981222
1-[1-(1H-benzimidazol-2-ylmethyl)piperidin-3-yl]-N-methylmethanamine
CID 61204225
N-[[1-(1H-benzimidazol-2-ylmethyl)piperidin-3-yl]methyl]propan-2-amine
CID 63241392
3-methyl-1-[[(3S)-3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]imidazo[1,5-a]pyridine
CID 95707908
1-[3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-4-(2-methylimidazol-1-yl)butan-1-one
CID 72847798
5-[[(3S)-3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]methyl]-2-methyl-1,3-thiazole
CID 92628816
2-(piperidin-1-ylmethyl)-1H-benzimidazole;dihydrochloride
CID 3063303
2-[3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]quinoxaline
CID 131918904
(3S)-3-[(2-methylimidazol-1-yl)methyl]piperidine-1-carbaldehyde
CID 142002069
5-[[(3S)-3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]methyl]quinoxaline
CID 95728190
8-chloro-2-[[(3R)-3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]quinoline
CID 92613141
2-[[(3S)-3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]methyl]-1H-imidazo[4,5-b]pyridine
CID 95327979

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]-1H-benzimidazole?
The IUPAC name of 2-[[3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]-1H-benzimidazole (CID 46981224) is 2-[[3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]-1H-benzimidazole.
What is the SMILES notation for 2-[[3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]-1H-benzimidazole?
The canonical SMILES for 2-[[3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]-1H-benzimidazole is Cc1nccn1CC1CCCN(Cc2nc3ccccc3[nH]2)C1.
What is the InChIKey of 2-[[3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]-1H-benzimidazole?
The InChIKey is PYDAMYCCIYKJKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5/c1-14-19-8-10-23(14)12-15-5-4-9-22(11-15)13-18-20-16-6-2-3-7-17(16)21-18/h2-3,6-8,10,15H,4-5,9,11-13H2,1H3,(H,20,21).
What are the key properties of 2-[[3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]-1H-benzimidazole?
2-[[3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]-1H-benzimidazole has a molecular weight of 309.42 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]-1H-benzimidazole is sourced from PubChem (CID 46981224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).