2-[3-[[4-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methyl]phenyl]ethanamine

C22H28N4 — CID 56915361

IUPAC2-[3-[[4-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methyl]phenyl]ethanamine
SMILESCn1c(C2CCN(Cc3cccc(CCN)c3)CC2)nc2ccccc21
InChIInChI=1S/C22H28N4/c1-25-21-8-3-2-7-20(21)24-22(25)19-10-13-26(14-11-19)16-18-6-4-5-17(15-18)9-12-23/h2-8,15,19H,9-14,16,23H2,1H3
InChIKeyKNVBIGMRQIMNJI-UHFFFAOYSA-N
MW348.49 g/mol
LogP3.45
Rot. Bonds5

About 2-[3-[[4-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methyl]phenyl]ethanamine

2-[3-[[4-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methyl]phenyl]ethanamine (PubChem CID 56915361) has the molecular formula C22H28N4 and a molecular weight of 348.49 g/mol. Its IUPAC name is 2-[3-[[4-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methyl]phenyl]ethanamine.

Molecular Properties

Compound Name2-[3-[[4-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methyl]phenyl]ethanamine
PubChem CID56915361
Molecular FormulaC22H28N4
Molecular Weight348.49 g/mol
Exact Mass348.23
IUPAC Name2-[3-[[4-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methyl]phenyl]ethanamine
SMILESCn1c(C2CCN(Cc3cccc(CCN)c3)CC2)nc2ccccc21
InChIInChI=1S/C22H28N4/c1-25-21-8-3-2-7-20(21)24-22(25)19-10-13-26(14-11-19)16-18-6-4-5-17(15-18)9-12-23/h2-8,15,19H,9-14,16,23H2,1H3
InChIKeyKNVBIGMRQIMNJI-UHFFFAOYSA-N
XLogP3.45
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-[[4-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methyl]phenoxy]ethanol
CID 56893383
2-[1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]-1-methylbenzimidazole
CID 75615874
1-[(4-chlorophenyl)methyl]-2-[1-[(3-methylphenyl)methyl]piperidin-4-yl]benzimidazole
CID 10342628
2-[(3S)-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]-1-methylbenzimidazole
CID 51137878
4-[[3-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]methyl]benzoic acid
CID 75615869
5-[[4-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 162628676
3-[(2-cyclopropylbenzimidazol-1-yl)methyl]benzoic acid
CID 82144581
3-[(2-cyclopropylbenzimidazol-1-yl)methyl]benzenecarbothioamide
CID 39148095
1-methyl-2-[(4-methylpiperidin-1-yl)methyl]benzimidazole
CID 6491167
2-cyclopentyl-1-(2-phenylethyl)benzimidazole
CID 102490479
2-[3-[[3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]methyl]phenyl]ethanamine
CID 56900334
[4-[[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methyl]-2-methylphenyl]-(2-methylphenyl)methanimine
CID 177142915

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[4-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methyl]phenyl]ethanamine?
The IUPAC name of 2-[3-[[4-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methyl]phenyl]ethanamine (CID 56915361) is 2-[3-[[4-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methyl]phenyl]ethanamine.
What is the SMILES notation for 2-[3-[[4-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methyl]phenyl]ethanamine?
The canonical SMILES for 2-[3-[[4-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methyl]phenyl]ethanamine is Cn1c(C2CCN(Cc3cccc(CCN)c3)CC2)nc2ccccc21.
What is the InChIKey of 2-[3-[[4-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methyl]phenyl]ethanamine?
The InChIKey is KNVBIGMRQIMNJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4/c1-25-21-8-3-2-7-20(21)24-22(25)19-10-13-26(14-11-19)16-18-6-4-5-17(15-18)9-12-23/h2-8,15,19H,9-14,16,23H2,1H3.
What are the key properties of 2-[3-[[4-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methyl]phenyl]ethanamine?
2-[3-[[4-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methyl]phenyl]ethanamine has a molecular weight of 348.49 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[4-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methyl]phenyl]ethanamine is sourced from PubChem (CID 56915361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).