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

C20H23N3 — CID 168553890

IUPAC2-[2-[(3-methylpiperidin-1-yl)methyl]phenyl]-1H-benzimidazole
SMILESCC1CCCN(Cc2ccccc2-c2nc3ccccc3[nH]2)C1
InChIInChI=1S/C20H23N3/c1-15-7-6-12-23(13-15)14-16-8-2-3-9-17(16)20-21-18-10-4-5-11-19(18)22-20/h2-5,8-11,15H,6-7,12-14H2,1H3,(H,21,22)
InChIKeyYXHPWLXSBVNQPR-UHFFFAOYSA-N
MW305.43 g/mol
LogP4.46
Rot. Bonds3

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

2-[2-[(3-methylpiperidin-1-yl)methyl]phenyl]-1H-benzimidazole (PubChem CID 168553890) has the molecular formula C20H23N3 and a molecular weight of 305.43 g/mol. Its IUPAC name is 2-[2-[(3-methylpiperidin-1-yl)methyl]phenyl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[2-[(3-methylpiperidin-1-yl)methyl]phenyl]-1H-benzimidazole
PubChem CID168553890
Molecular FormulaC20H23N3
Molecular Weight305.43 g/mol
Exact Mass305.19
IUPAC Name2-[2-[(3-methylpiperidin-1-yl)methyl]phenyl]-1H-benzimidazole
SMILESCC1CCCN(Cc2ccccc2-c2nc3ccccc3[nH]2)C1
InChIInChI=1S/C20H23N3/c1-15-7-6-12-23(13-15)14-16-8-2-3-9-17(16)20-21-18-10-4-5-11-19(18)22-20/h2-5,8-11,15H,6-7,12-14H2,1H3,(H,21,22)
InChIKeyYXHPWLXSBVNQPR-UHFFFAOYSA-N
XLogP4.46
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 ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[2-(1H-benzimidazol-2-yl)phenyl]methyl]thiomorpholine
CID 168553666
1-[(2-bromophenyl)methyl]-3-methylpiperidine
CID 60644748
(3R)-1-[(2-chlorophenyl)methyl]-3-methylpiperidine
CID 42550070
2-[(3S)-3-methylpiperidin-1-yl]-1H-benzimidazole
CID 94217972
2-[3-fluoro-4-[(4-methylpiperidin-1-yl)methyl]phenyl]-1H-benzimidazole
CID 168553765
N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]ethanamine
CID 62438160
N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]cyclopropanamine
CID 55069877
2-[[1-(1H-benzimidazol-2-ylmethyl)piperidin-3-yl]methyl]-1H-benzimidazole
CID 46981222
2-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]-1H-benzimidazole
CID 75615115
1-benzyl-3-methylpiperidine
CID 2794856
2-amino-4-[2-[(3-methylpiperidin-1-yl)methyl]phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393758
2-[4-methoxy-3-[(4-methylpiperidin-1-yl)methyl]phenyl]-1H-benzimidazole
CID 168554818

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3-methylpiperidin-1-yl)methyl]phenyl]-1H-benzimidazole?
The IUPAC name of 2-[2-[(3-methylpiperidin-1-yl)methyl]phenyl]-1H-benzimidazole (CID 168553890) is 2-[2-[(3-methylpiperidin-1-yl)methyl]phenyl]-1H-benzimidazole.
What is the SMILES notation for 2-[2-[(3-methylpiperidin-1-yl)methyl]phenyl]-1H-benzimidazole?
The canonical SMILES for 2-[2-[(3-methylpiperidin-1-yl)methyl]phenyl]-1H-benzimidazole is CC1CCCN(Cc2ccccc2-c2nc3ccccc3[nH]2)C1.
What is the InChIKey of 2-[2-[(3-methylpiperidin-1-yl)methyl]phenyl]-1H-benzimidazole?
The InChIKey is YXHPWLXSBVNQPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3/c1-15-7-6-12-23(13-15)14-16-8-2-3-9-17(16)20-21-18-10-4-5-11-19(18)22-20/h2-5,8-11,15H,6-7,12-14H2,1H3,(H,21,22).
What are the key properties of 2-[2-[(3-methylpiperidin-1-yl)methyl]phenyl]-1H-benzimidazole?
2-[2-[(3-methylpiperidin-1-yl)methyl]phenyl]-1H-benzimidazole has a molecular weight of 305.43 g/mol, XLogP of 4.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3-methylpiperidin-1-yl)methyl]phenyl]-1H-benzimidazole is sourced from PubChem (CID 168553890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).