6-chloro-2-[1-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperidin-4-yl]-1H-benzimidazole

C17H22ClN7O — CID 45076391

IUPAC6-chloro-2-[1-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperidin-4-yl]-1H-benzimidazole
SMILESCOCCn1nnnc1CN1CCC(c2nc3ccc(Cl)cc3[nH]2)CC1
InChIInChI=1S/C17H22ClN7O/c1-26-9-8-25-16(21-22-23-25)11-24-6-4-12(5-7-24)17-19-14-3-2-13(18)10-15(14)20-17/h2-3,10,12H,4-9,11H2,1H3,(H,19,20)
InChIKeyLZSQVCJCTDDIMX-UHFFFAOYSA-N
MW375.86 g/mol
LogP2.23
Rot. Bonds6

About 6-chloro-2-[1-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperidin-4-yl]-1H-benzimidazole

6-chloro-2-[1-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperidin-4-yl]-1H-benzimidazole (PubChem CID 45076391) has the molecular formula C17H22ClN7O and a molecular weight of 375.86 g/mol. Its IUPAC name is 6-chloro-2-[1-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperidin-4-yl]-1H-benzimidazole.

Molecular Properties

Compound Name6-chloro-2-[1-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperidin-4-yl]-1H-benzimidazole
PubChem CID45076391
Molecular FormulaC17H22ClN7O
Molecular Weight375.86 g/mol
Exact Mass375.16
IUPAC Name6-chloro-2-[1-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperidin-4-yl]-1H-benzimidazole
SMILESCOCCn1nnnc1CN1CCC(c2nc3ccc(Cl)cc3[nH]2)CC1
InChIInChI=1S/C17H22ClN7O/c1-26-9-8-25-16(21-22-23-25)11-24-6-4-12(5-7-24)17-19-14-3-2-13(18)10-15(14)20-17/h2-3,10,12H,4-9,11H2,1H3,(H,19,20)
InChIKeyLZSQVCJCTDDIMX-UHFFFAOYSA-N
XLogP2.23
TPSA84.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.86
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-chloro-2-[1-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperidin-4-yl]-1H-benzimidazole with MolForge

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Related Compounds

6-chloro-2-[1-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]piperidin-4-yl]-1H-benzimidazole
CID 43815881
2-[1-[(1-propyltetrazol-5-yl)methyl]piperidin-4-yl]-1H-benzimidazole
CID 56785941
6-fluoro-2-[1-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-4-yl]-1H-benzimidazole
CID 91834299
2-[4-(6-chloro-1H-benzimidazol-2-yl)piperidin-1-yl]-N-(2,6-dimethoxyphenyl)acetamide
CID 1429729
2-[4-(6-chloro-1H-benzimidazol-2-yl)piperidin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 43815822
2-[4-(6-chloro-1H-benzimidazol-2-yl)piperidin-1-yl]-N-(4-ethoxyphenyl)acetamide
CID 1453163
2-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]-1H-benzimidazole
CID 56787398
butane;6-chloro-2-[[4-(2-methoxyphenyl)piperidin-1-yl]methyl]-1H-benzimidazole
CID 143407737
4-[4-(6-chloro-1H-benzimidazol-2-yl)piperidin-1-yl]-4-oxobutanoate
CID 6985710
2-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]-6-methoxy-1H-benzimidazole
CID 75131975
3-[[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-3-hydroxy-1-(2-methoxyethyl)piperidin-2-one
CID 56717915
2-[(3S)-1-[(3-chlorophenyl)methyl]pyrrolidin-3-yl]-1H-benzimidazole
CID 51137111

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[1-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperidin-4-yl]-1H-benzimidazole?
The IUPAC name of 6-chloro-2-[1-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperidin-4-yl]-1H-benzimidazole (CID 45076391) is 6-chloro-2-[1-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperidin-4-yl]-1H-benzimidazole.
What is the SMILES notation for 6-chloro-2-[1-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperidin-4-yl]-1H-benzimidazole?
The canonical SMILES for 6-chloro-2-[1-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperidin-4-yl]-1H-benzimidazole is COCCn1nnnc1CN1CCC(c2nc3ccc(Cl)cc3[nH]2)CC1.
What is the InChIKey of 6-chloro-2-[1-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperidin-4-yl]-1H-benzimidazole?
The InChIKey is LZSQVCJCTDDIMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN7O/c1-26-9-8-25-16(21-22-23-25)11-24-6-4-12(5-7-24)17-19-14-3-2-13(18)10-15(14)20-17/h2-3,10,12H,4-9,11H2,1H3,(H,19,20).
What are the key properties of 6-chloro-2-[1-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperidin-4-yl]-1H-benzimidazole?
6-chloro-2-[1-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperidin-4-yl]-1H-benzimidazole has a molecular weight of 375.86 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[1-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperidin-4-yl]-1H-benzimidazole is sourced from PubChem (CID 45076391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).