2-[4-methoxy-3-[(4-methylpiperidin-1-yl)methyl]phenyl]-1H-benzimidazole

C21H25N3O — CID 168554818

IUPAC2-[4-methoxy-3-[(4-methylpiperidin-1-yl)methyl]phenyl]-1H-benzimidazole
SMILESCOc1ccc(-c2nc3ccccc3[nH]2)cc1CN1CCC(C)CC1
InChIInChI=1S/C21H25N3O/c1-15-9-11-24(12-10-15)14-17-13-16(7-8-20(17)25-2)21-22-18-5-3-4-6-19(18)23-21/h3-8,13,15H,9-12,14H2,1-2H3,(H,22,23)
InChIKeyOEELMTVBDZWPIS-UHFFFAOYSA-N
MW335.45 g/mol
LogP4.47
Rot. Bonds4

About 2-[4-methoxy-3-[(4-methylpiperidin-1-yl)methyl]phenyl]-1H-benzimidazole

2-[4-methoxy-3-[(4-methylpiperidin-1-yl)methyl]phenyl]-1H-benzimidazole (PubChem CID 168554818) has the molecular formula C21H25N3O and a molecular weight of 335.45 g/mol. Its IUPAC name is 2-[4-methoxy-3-[(4-methylpiperidin-1-yl)methyl]phenyl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[4-methoxy-3-[(4-methylpiperidin-1-yl)methyl]phenyl]-1H-benzimidazole
PubChem CID168554818
Molecular FormulaC21H25N3O
Molecular Weight335.45 g/mol
Exact Mass335.20
IUPAC Name2-[4-methoxy-3-[(4-methylpiperidin-1-yl)methyl]phenyl]-1H-benzimidazole
SMILESCOc1ccc(-c2nc3ccccc3[nH]2)cc1CN1CCC(C)CC1
InChIInChI=1S/C21H25N3O/c1-15-9-11-24(12-10-15)14-17-13-16(7-8-20(17)25-2)21-22-18-5-3-4-6-19(18)23-21/h3-8,13,15H,9-12,14H2,1-2H3,(H,22,23)
InChIKeyOEELMTVBDZWPIS-UHFFFAOYSA-N
XLogP4.47
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[5-(1H-benzimidazol-2-yl)-2-methoxyphenyl]methyl]thiomorpholine
CID 168554741
2-[3-fluoro-4-[(4-methylpiperidin-1-yl)methyl]phenyl]-1H-benzimidazole
CID 168553765
2-[4-methoxy-3-[(4-methoxyphenoxy)methyl]phenyl]-1H-benzimidazole
CID 168554144
2-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-1H-benzimidazole
CID 168553533
2-[3-[(3,5-dimethylphenoxy)methyl]-4-methoxyphenyl]-1H-benzimidazole
CID 168555101
2-[3-[(2-bromophenoxy)methyl]-4-methoxyphenyl]-1H-benzimidazole
CID 168554164
2-[3-[(4-chloro-2-methylphenoxy)methyl]-4-methoxyphenyl]-1H-benzimidazole
CID 168554121
4-[[5-(1H-benzimidazol-2-yl)-2-methoxyphenyl]methyl]-3,5-dimethyl-1,2-oxazole
CID 168554839
2-(4-methoxy-3-propoxyphenyl)-1H-benzimidazole
CID 110539403
7-[[5-(1H-benzimidazol-2-yl)-2-methoxyphenyl]methoxy]quinoline
CID 168554862
2-[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]-1H-benzimidazole
CID 19224116
2-(4-ethoxy-3-prop-2-enylphenyl)-1H-benzimidazole
CID 168554555

Frequently Asked Questions

What is the IUPAC name of 2-[4-methoxy-3-[(4-methylpiperidin-1-yl)methyl]phenyl]-1H-benzimidazole?
The IUPAC name of 2-[4-methoxy-3-[(4-methylpiperidin-1-yl)methyl]phenyl]-1H-benzimidazole (CID 168554818) is 2-[4-methoxy-3-[(4-methylpiperidin-1-yl)methyl]phenyl]-1H-benzimidazole.
What is the SMILES notation for 2-[4-methoxy-3-[(4-methylpiperidin-1-yl)methyl]phenyl]-1H-benzimidazole?
The canonical SMILES for 2-[4-methoxy-3-[(4-methylpiperidin-1-yl)methyl]phenyl]-1H-benzimidazole is COc1ccc(-c2nc3ccccc3[nH]2)cc1CN1CCC(C)CC1.
What is the InChIKey of 2-[4-methoxy-3-[(4-methylpiperidin-1-yl)methyl]phenyl]-1H-benzimidazole?
The InChIKey is OEELMTVBDZWPIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O/c1-15-9-11-24(12-10-15)14-17-13-16(7-8-20(17)25-2)21-22-18-5-3-4-6-19(18)23-21/h3-8,13,15H,9-12,14H2,1-2H3,(H,22,23).
What are the key properties of 2-[4-methoxy-3-[(4-methylpiperidin-1-yl)methyl]phenyl]-1H-benzimidazole?
2-[4-methoxy-3-[(4-methylpiperidin-1-yl)methyl]phenyl]-1H-benzimidazole has a molecular weight of 335.45 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methoxy-3-[(4-methylpiperidin-1-yl)methyl]phenyl]-1H-benzimidazole is sourced from PubChem (CID 168554818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).