1-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]benzimidazol-2-amine

C21H26N4O — CID 140529272

IUPAC1-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]benzimidazol-2-amine
SMILESCOc1ccc(CCN2CCC(n3c(N)nc4ccccc43)CC2)cc1
InChIInChI=1S/C21H26N4O/c1-26-18-8-6-16(7-9-18)10-13-24-14-11-17(12-15-24)25-20-5-3-2-4-19(20)23-21(25)22/h2-9,17H,10-15H2,1H3,(H2,22,23)
InChIKeyYWQSGMMJNMPXMU-UHFFFAOYSA-N
MW350.47 g/mol
LogP3.51
Rot. Bonds5

About 1-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]benzimidazol-2-amine

1-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]benzimidazol-2-amine (PubChem CID 140529272) has the molecular formula C21H26N4O and a molecular weight of 350.47 g/mol. Its IUPAC name is 1-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]benzimidazol-2-amine.

Molecular Properties

Compound Name1-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]benzimidazol-2-amine
PubChem CID140529272
Molecular FormulaC21H26N4O
Molecular Weight350.47 g/mol
Exact Mass350.21
IUPAC Name1-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]benzimidazol-2-amine
SMILESCOc1ccc(CCN2CCC(n3c(N)nc4ccccc43)CC2)cc1
InChIInChI=1S/C21H26N4O/c1-26-18-8-6-16(7-9-18)10-13-24-14-11-17(12-15-24)25-20-5-3-2-4-19(20)23-21(25)22/h2-9,17H,10-15H2,1H3,(H2,22,23)
InChIKeyYWQSGMMJNMPXMU-UHFFFAOYSA-N
XLogP3.51
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-methoxyphenyl)methyl]-1-(1-propylpiperidin-4-yl)benzimidazole
CID 26345971
3-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 172968462
1-[1-[2-[4-(1,3-benzothiazol-2-yloxy)phenyl]ethyl]piperidin-4-yl]-3-methylbenzimidazol-2-one
CID 11190909
2-[(3S)-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]-1-methylbenzimidazole
CID 51137878
1-(1-ethylpiperidin-3-yl)benzimidazol-2-amine
CID 61480058
pentakis(1-benzhydryl-2-[[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]methyl]benzimidazole);oxalic acid
CID 173361769
1-[2-(4-methoxyphenyl)ethyl]piperidine-4-carboxamide
CID 9442958
1-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]ethanamine;hydrochloride
CID 119920973
(3S)-1-[2-(4-methoxyphenyl)ethyl]pyrrolidin-3-amine;hydrochloride
CID 119933968
N-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]thiohydroxylamine
CID 123350321
4-[4-[2-[(4-methoxyphenyl)methyl]benzimidazol-1-yl]piperidin-1-yl]-4-oxobutanamide
CID 42431242
[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]methanesulfonamide
CID 171910981

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]benzimidazol-2-amine?
The IUPAC name of 1-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]benzimidazol-2-amine (CID 140529272) is 1-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]benzimidazol-2-amine.
What is the SMILES notation for 1-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]benzimidazol-2-amine?
The canonical SMILES for 1-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]benzimidazol-2-amine is COc1ccc(CCN2CCC(n3c(N)nc4ccccc43)CC2)cc1.
What is the InChIKey of 1-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]benzimidazol-2-amine?
The InChIKey is YWQSGMMJNMPXMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O/c1-26-18-8-6-16(7-9-18)10-13-24-14-11-17(12-15-24)25-20-5-3-2-4-19(20)23-21(25)22/h2-9,17H,10-15H2,1H3,(H2,22,23).
What are the key properties of 1-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]benzimidazol-2-amine?
1-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]benzimidazol-2-amine has a molecular weight of 350.47 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]benzimidazol-2-amine is sourced from PubChem (CID 140529272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).