2-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1H-benzimidazole

C18H21N5 — CID 11289781

IUPAC2-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1H-benzimidazole
SMILESc1ccc(CN2CCN(Cc3nc4ccccc4[nH]3)CC2)nc1
InChIInChI=1S/C18H21N5/c1-2-7-17-16(6-1)20-18(21-17)14-23-11-9-22(10-12-23)13-15-5-3-4-8-19-15/h1-8H,9-14H2,(H,20,21)
InChIKeyUXMUDGJQESVOJP-UHFFFAOYSA-N
MW307.40 g/mol
LogP2.28
Rot. Bonds4

About 2-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1H-benzimidazole

2-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1H-benzimidazole (PubChem CID 11289781) has the molecular formula C18H21N5 and a molecular weight of 307.40 g/mol. Its IUPAC name is 2-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1H-benzimidazole
PubChem CID11289781
Molecular FormulaC18H21N5
Molecular Weight307.40 g/mol
Exact Mass307.18
IUPAC Name2-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1H-benzimidazole
SMILESc1ccc(CN2CCN(Cc3nc4ccccc4[nH]3)CC2)nc1
InChIInChI=1S/C18H21N5/c1-2-7-17-16(6-1)20-18(21-17)14-23-11-9-22(10-12-23)13-15-5-3-4-8-19-15/h1-8H,9-14H2,(H,20,21)
InChIKeyUXMUDGJQESVOJP-UHFFFAOYSA-N
XLogP2.28
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-2-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1H-benzimidazole
CID 75510403
2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1H-benzimidazole
CID 16798070
2-(piperidin-1-ylmethyl)-1H-benzimidazole;dihydrochloride
CID 3063303
(Z)-but-2-enedioic acid;2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1H-benzimidazole
CID 69199029
2-[(4-ethyl-1,4-diazepan-1-yl)methyl]-1H-benzimidazole
CID 142265346
2-[[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]methyl]-1H-benzimidazole
CID 75438688
2-[(4-pyridin-3-ylpiperazin-1-yl)methyl]-1H-benzimidazole
CID 11300847
1-(1H-imidazol-2-ylmethyl)-4-(pyridin-2-ylmethyl)-1,4-diazepane
CID 3597309
1-[4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]ethanone;oxalic acid
CID 121074357
2-[[4-[(1R)-1-phenylethyl]piperazin-1-yl]methyl]-1H-benzimidazole
CID 51697276
N-[2-[4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]methanesulfonamide
CID 10156977
2-[[4-(5-bromo-3-fluoro-2-pyridinyl)piperazin-1-yl]methyl]-1H-benzimidazole
CID 166601916

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1H-benzimidazole?
The IUPAC name of 2-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1H-benzimidazole (CID 11289781) is 2-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1H-benzimidazole.
What is the SMILES notation for 2-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1H-benzimidazole?
The canonical SMILES for 2-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1H-benzimidazole is c1ccc(CN2CCN(Cc3nc4ccccc4[nH]3)CC2)nc1.
What is the InChIKey of 2-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1H-benzimidazole?
The InChIKey is UXMUDGJQESVOJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5/c1-2-7-17-16(6-1)20-18(21-17)14-23-11-9-22(10-12-23)13-15-5-3-4-8-19-15/h1-8H,9-14H2,(H,20,21).
What are the key properties of 2-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1H-benzimidazole?
2-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1H-benzimidazole has a molecular weight of 307.40 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1H-benzimidazole is sourced from PubChem (CID 11289781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).