6-[1-[(3-methylphenyl)methyl]piperidin-2-yl]-1H-benzimidazole

C20H23N3 — CID 151217647

IUPAC6-[1-[(3-methylphenyl)methyl]piperidin-2-yl]-1H-benzimidazole
SMILESCc1cccc(CN2CCCCC2c2ccc3nc[nH]c3c2)c1
InChIInChI=1S/C20H23N3/c1-15-5-4-6-16(11-15)13-23-10-3-2-7-20(23)17-8-9-18-19(12-17)22-14-21-18/h4-6,8-9,11-12,14,20H,2-3,7,10,13H2,1H3,(H,21,22)
InChIKeyNLPCMCFRAXQYHX-UHFFFAOYSA-N
MW305.43 g/mol
LogP4.60
Rot. Bonds3

About 6-[1-[(3-methylphenyl)methyl]piperidin-2-yl]-1H-benzimidazole

6-[1-[(3-methylphenyl)methyl]piperidin-2-yl]-1H-benzimidazole (PubChem CID 151217647) has the molecular formula C20H23N3 and a molecular weight of 305.43 g/mol. Its IUPAC name is 6-[1-[(3-methylphenyl)methyl]piperidin-2-yl]-1H-benzimidazole.

Molecular Properties

Compound Name6-[1-[(3-methylphenyl)methyl]piperidin-2-yl]-1H-benzimidazole
PubChem CID151217647
Molecular FormulaC20H23N3
Molecular Weight305.43 g/mol
Exact Mass305.19
IUPAC Name6-[1-[(3-methylphenyl)methyl]piperidin-2-yl]-1H-benzimidazole
SMILESCc1cccc(CN2CCCCC2c2ccc3nc[nH]c3c2)c1
InChIInChI=1S/C20H23N3/c1-15-5-4-6-16(11-15)13-23-10-3-2-7-20(23)17-8-9-18-19(12-17)22-14-21-18/h4-6,8-9,11-12,14,20H,2-3,7,10,13H2,1H3,(H,21,22)
InChIKeyNLPCMCFRAXQYHX-UHFFFAOYSA-N
XLogP4.60
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.43
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-[1-[(3-methylphenyl)methyl]piperidin-2-yl]-1H-benzimidazole?
The IUPAC name of 6-[1-[(3-methylphenyl)methyl]piperidin-2-yl]-1H-benzimidazole (CID 151217647) is 6-[1-[(3-methylphenyl)methyl]piperidin-2-yl]-1H-benzimidazole.
What is the SMILES notation for 6-[1-[(3-methylphenyl)methyl]piperidin-2-yl]-1H-benzimidazole?
The canonical SMILES for 6-[1-[(3-methylphenyl)methyl]piperidin-2-yl]-1H-benzimidazole is Cc1cccc(CN2CCCCC2c2ccc3nc[nH]c3c2)c1.
What is the InChIKey of 6-[1-[(3-methylphenyl)methyl]piperidin-2-yl]-1H-benzimidazole?
The InChIKey is NLPCMCFRAXQYHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3/c1-15-5-4-6-16(11-15)13-23-10-3-2-7-20(23)17-8-9-18-19(12-17)22-14-21-18/h4-6,8-9,11-12,14,20H,2-3,7,10,13H2,1H3,(H,21,22).
What are the key properties of 6-[1-[(3-methylphenyl)methyl]piperidin-2-yl]-1H-benzimidazole?
6-[1-[(3-methylphenyl)methyl]piperidin-2-yl]-1H-benzimidazole has a molecular weight of 305.43 g/mol, XLogP of 4.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[(3-methylphenyl)methyl]piperidin-2-yl]-1H-benzimidazole is sourced from PubChem (CID 151217647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).