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

C18H20ClN5 — CID 75510403

IUPAC6-chloro-2-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1H-benzimidazole
SMILESClc1ccc2nc(CN3CCN(Cc4ccccn4)CC3)[nH]c2c1
InChIInChI=1S/C18H20ClN5/c19-14-4-5-16-17(11-14)22-18(21-16)13-24-9-7-23(8-10-24)12-15-3-1-2-6-20-15/h1-6,11H,7-10,12-13H2,(H,21,22)
InChIKeyKARXXPDJPBDSMG-UHFFFAOYSA-N
MW341.85 g/mol
LogP2.93
Rot. Bonds4

About 6-chloro-2-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1H-benzimidazole

6-chloro-2-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1H-benzimidazole (PubChem CID 75510403) has the molecular formula C18H20ClN5 and a molecular weight of 341.85 g/mol. Its IUPAC name is 6-chloro-2-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1H-benzimidazole.

Molecular Properties

Compound Name6-chloro-2-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1H-benzimidazole
PubChem CID75510403
Molecular FormulaC18H20ClN5
Molecular Weight341.85 g/mol
Exact Mass341.14
IUPAC Name6-chloro-2-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1H-benzimidazole
SMILESClc1ccc2nc(CN3CCN(Cc4ccccn4)CC3)[nH]c2c1
InChIInChI=1S/C18H20ClN5/c19-14-4-5-16-17(11-14)22-18(21-16)13-24-9-7-23(8-10-24)12-15-3-1-2-6-20-15/h1-6,11H,7-10,12-13H2,(H,21,22)
InChIKeyKARXXPDJPBDSMG-UHFFFAOYSA-N
XLogP2.93
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.85
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1H-benzimidazole
CID 11289781
2-[(4-benzylpiperazin-1-yl)methyl]-6-chloro-1H-benzimidazole
CID 134084457
butane;6-chloro-2-[[4-(2-methoxyphenyl)piperidin-1-yl]methyl]-1H-benzimidazole
CID 143407737
1-(2,5-dichlorophenyl)sulfonyl-4-(pyridin-2-ylmethyl)piperazine
CID 17413023
1-(1H-imidazol-2-ylmethyl)-4-(pyridin-2-ylmethyl)-1,4-diazepane
CID 3597309
6-chloro-2-(4-pyridin-2-ylpiperazin-1-yl)-1H-benzimidazole
CID 82562731
2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1H-benzimidazole
CID 16798070
1-(4-chloro-2-fluorophenyl)sulfonyl-4-(pyridin-2-ylmethyl)piperazine
CID 17413660
6-fluoro-2-[[(3S,4R)-4-fluoro-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]oxymethyl]-1H-benzimidazole
CID 75410638
6-[2-(4-phenylpiperazin-1-yl)ethyl]-2-(pyridin-2-ylmethyl)-1H-benzimidazole
CID 10596972
N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-2-methyl-6-pyridin-2-ylpyrimidin-4-amine
CID 154859288
6-chloro-2-(cyclopropylmethyl)-1H-benzimidazole
CID 64724517

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1H-benzimidazole?
The IUPAC name of 6-chloro-2-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1H-benzimidazole (CID 75510403) is 6-chloro-2-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1H-benzimidazole.
What is the SMILES notation for 6-chloro-2-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1H-benzimidazole?
The canonical SMILES for 6-chloro-2-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1H-benzimidazole is Clc1ccc2nc(CN3CCN(Cc4ccccn4)CC3)[nH]c2c1.
What is the InChIKey of 6-chloro-2-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1H-benzimidazole?
The InChIKey is KARXXPDJPBDSMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN5/c19-14-4-5-16-17(11-14)22-18(21-16)13-24-9-7-23(8-10-24)12-15-3-1-2-6-20-15/h1-6,11H,7-10,12-13H2,(H,21,22).
What are the key properties of 6-chloro-2-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1H-benzimidazole?
6-chloro-2-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1H-benzimidazole has a molecular weight of 341.85 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1H-benzimidazole is sourced from PubChem (CID 75510403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).