6-methoxy-2-[(4-methylpiperidin-1-yl)methyl]-1H-benzimidazole

C15H21N3O — CID 82335981

IUPAC6-methoxy-2-[(4-methylpiperidin-1-yl)methyl]-1H-benzimidazole
SMILESCOc1ccc2nc(CN3CCC(C)CC3)[nH]c2c1
InChIInChI=1S/C15H21N3O/c1-11-5-7-18(8-6-11)10-15-16-13-4-3-12(19-2)9-14(13)17-15/h3-4,9,11H,5-8,10H2,1-2H3,(H,16,17)
InChIKeyQCTIOWDPLJFBOW-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.80
Rot. Bonds3

About 6-methoxy-2-[(4-methylpiperidin-1-yl)methyl]-1H-benzimidazole

6-methoxy-2-[(4-methylpiperidin-1-yl)methyl]-1H-benzimidazole (PubChem CID 82335981) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 6-methoxy-2-[(4-methylpiperidin-1-yl)methyl]-1H-benzimidazole.

Molecular Properties

Compound Name6-methoxy-2-[(4-methylpiperidin-1-yl)methyl]-1H-benzimidazole
PubChem CID82335981
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name6-methoxy-2-[(4-methylpiperidin-1-yl)methyl]-1H-benzimidazole
SMILESCOc1ccc2nc(CN3CCC(C)CC3)[nH]c2c1
InChIInChI=1S/C15H21N3O/c1-11-5-7-18(8-6-11)10-15-16-13-4-3-12(19-2)9-14(13)17-15/h3-4,9,11H,5-8,10H2,1-2H3,(H,16,17)
InChIKeyQCTIOWDPLJFBOW-UHFFFAOYSA-N
XLogP2.80
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-benzylpiperidin-1-yl)methyl]-6-methoxy-1H-benzimidazole
CID 11325148
(3R,4R)-1-[(6-bromo-1H-benzimidazol-2-yl)methyl]-4-methylpiperidin-3-ol
CID 99715280
2-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]-6-methoxy-1H-benzimidazole
CID 75131975
2-[(3-methoxypiperidin-1-yl)methyl]-3H-benzimidazol-5-amine
CID 102956438
6-chloro-2-[(4-methylpiperidin-1-yl)methyl]-3H-quinazolin-4-one
CID 135799571
2-[(3R,4S)-1-(cyclopropylmethyl)-3-[(6-methoxy-1H-benzimidazol-2-yl)methyl]piperidin-4-yl]acetic acid
CID 125416733
6-methoxy-2-[[2-(4-phenylmethoxyphenyl)pyrrolidin-1-yl]methyl]-1H-benzimidazole
CID 71294766
butane;6-chloro-2-[[4-(2-methoxyphenyl)piperidin-1-yl]methyl]-1H-benzimidazole
CID 143407737
2-(6-methoxy-1H-benzimidazol-2-yl)-N-methylethanamine;hydrochloride
CID 72942363
2-hexyl-6-methoxy-1H-benzimidazole
CID 114753150
6-methoxy-3-[(6-methoxy-1H-benzimidazol-2-yl)methyl]quinazolin-4-one
CID 39760818
3-[4-methoxy-2-[(4-methylpiperidin-1-yl)methyl]phenyl]prop-2-enoic acid
CID 77065455

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-[(4-methylpiperidin-1-yl)methyl]-1H-benzimidazole?
The IUPAC name of 6-methoxy-2-[(4-methylpiperidin-1-yl)methyl]-1H-benzimidazole (CID 82335981) is 6-methoxy-2-[(4-methylpiperidin-1-yl)methyl]-1H-benzimidazole.
What is the SMILES notation for 6-methoxy-2-[(4-methylpiperidin-1-yl)methyl]-1H-benzimidazole?
The canonical SMILES for 6-methoxy-2-[(4-methylpiperidin-1-yl)methyl]-1H-benzimidazole is COc1ccc2nc(CN3CCC(C)CC3)[nH]c2c1.
What is the InChIKey of 6-methoxy-2-[(4-methylpiperidin-1-yl)methyl]-1H-benzimidazole?
The InChIKey is QCTIOWDPLJFBOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-11-5-7-18(8-6-11)10-15-16-13-4-3-12(19-2)9-14(13)17-15/h3-4,9,11H,5-8,10H2,1-2H3,(H,16,17).
What are the key properties of 6-methoxy-2-[(4-methylpiperidin-1-yl)methyl]-1H-benzimidazole?
6-methoxy-2-[(4-methylpiperidin-1-yl)methyl]-1H-benzimidazole has a molecular weight of 259.35 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-[(4-methylpiperidin-1-yl)methyl]-1H-benzimidazole is sourced from PubChem (CID 82335981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).