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

C18H22ClN5 — CID 91837439

IUPAC2-[[1-[2-(4-chloropyrazol-1-yl)ethyl]piperidin-3-yl]methyl]-1H-benzimidazole
SMILESClc1cnn(CCN2CCCC(Cc3nc4ccccc4[nH]3)C2)c1
InChIInChI=1S/C18H22ClN5/c19-15-11-20-24(13-15)9-8-23-7-3-4-14(12-23)10-18-21-16-5-1-2-6-17(16)22-18/h1-2,5-6,11,13-14H,3-4,7-10,12H2,(H,21,22)
InChIKeyKSBCPIVOILVSEA-UHFFFAOYSA-N
MW343.86 g/mol
LogP3.37
Rot. Bonds5

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

2-[[1-[2-(4-chloropyrazol-1-yl)ethyl]piperidin-3-yl]methyl]-1H-benzimidazole (PubChem CID 91837439) has the molecular formula C18H22ClN5 and a molecular weight of 343.86 g/mol. Its IUPAC name is 2-[[1-[2-(4-chloropyrazol-1-yl)ethyl]piperidin-3-yl]methyl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[[1-[2-(4-chloropyrazol-1-yl)ethyl]piperidin-3-yl]methyl]-1H-benzimidazole
PubChem CID91837439
Molecular FormulaC18H22ClN5
Molecular Weight343.86 g/mol
Exact Mass343.16
IUPAC Name2-[[1-[2-(4-chloropyrazol-1-yl)ethyl]piperidin-3-yl]methyl]-1H-benzimidazole
SMILESClc1cnn(CCN2CCCC(Cc3nc4ccccc4[nH]3)C2)c1
InChIInChI=1S/C18H22ClN5/c19-15-11-20-24(13-15)9-8-23-7-3-4-14(12-23)10-18-21-16-5-1-2-6-17(16)22-18/h1-2,5-6,11,13-14H,3-4,7-10,12H2,(H,21,22)
InChIKeyKSBCPIVOILVSEA-UHFFFAOYSA-N
XLogP3.37
TPSA49.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.86
LogP ≤ 53.37
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
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2-[[(3S)-3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]methyl]-1-methylbenzimidazole
CID 93242524
2-[(3S)-3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-N-(1,5-dimethylpyrazol-4-yl)acetamide
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5-[[(3S)-3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]methyl]-2-methyl-1,3-thiazole
CID 92628816
2-[3-[[3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]methyl]phenyl]ethanamine
CID 56900334
1-[4-[[(3R)-3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]methyl]phenyl]pyrrolidin-2-one
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1-[1-(1H-benzimidazol-2-ylmethyl)piperidin-3-yl]-N-methylmethanamine
CID 61204225
5-[[(3S)-3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]methyl]quinoxaline
CID 95728190
N-[[1-(1H-benzimidazol-2-ylmethyl)piperidin-3-yl]methyl]propan-2-amine
CID 63241392
4-[4-[[(3S)-3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]methyl]pyrimidin-2-yl]morpholine
CID 92612884
2-[[3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]methyl]-1,3-oxazole-4-carboxylic acid
CID 134702211

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[2-(4-chloropyrazol-1-yl)ethyl]piperidin-3-yl]methyl]-1H-benzimidazole?
The IUPAC name of 2-[[1-[2-(4-chloropyrazol-1-yl)ethyl]piperidin-3-yl]methyl]-1H-benzimidazole (CID 91837439) is 2-[[1-[2-(4-chloropyrazol-1-yl)ethyl]piperidin-3-yl]methyl]-1H-benzimidazole.
What is the SMILES notation for 2-[[1-[2-(4-chloropyrazol-1-yl)ethyl]piperidin-3-yl]methyl]-1H-benzimidazole?
The canonical SMILES for 2-[[1-[2-(4-chloropyrazol-1-yl)ethyl]piperidin-3-yl]methyl]-1H-benzimidazole is Clc1cnn(CCN2CCCC(Cc3nc4ccccc4[nH]3)C2)c1.
What is the InChIKey of 2-[[1-[2-(4-chloropyrazol-1-yl)ethyl]piperidin-3-yl]methyl]-1H-benzimidazole?
The InChIKey is KSBCPIVOILVSEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN5/c19-15-11-20-24(13-15)9-8-23-7-3-4-14(12-23)10-18-21-16-5-1-2-6-17(16)22-18/h1-2,5-6,11,13-14H,3-4,7-10,12H2,(H,21,22).
What are the key properties of 2-[[1-[2-(4-chloropyrazol-1-yl)ethyl]piperidin-3-yl]methyl]-1H-benzimidazole?
2-[[1-[2-(4-chloropyrazol-1-yl)ethyl]piperidin-3-yl]methyl]-1H-benzimidazole has a molecular weight of 343.86 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[2-(4-chloropyrazol-1-yl)ethyl]piperidin-3-yl]methyl]-1H-benzimidazole is sourced from PubChem (CID 91837439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).