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

C21H26N4O — CID 14793784

IUPACN-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-1H-benzimidazol-2-amine
SMILESCOc1ccc(CCN2CCC(Nc3nc4ccccc4[nH]3)CC2)cc1
InChIInChI=1S/C21H26N4O/c1-26-18-8-6-16(7-9-18)10-13-25-14-11-17(12-15-25)22-21-23-19-4-2-3-5-20(19)24-21/h2-9,17H,10-15H2,1H3,(H2,22,23,24)
InChIKeyYBWSIMOGOMHTBV-UHFFFAOYSA-N
MW350.47 g/mol
LogP3.69
Rot. Bonds6

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

N-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-1H-benzimidazol-2-amine (PubChem CID 14793784) has the molecular formula C21H26N4O and a molecular weight of 350.47 g/mol. Its IUPAC name is N-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-1H-benzimidazol-2-amine.

Molecular Properties

Compound NameN-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-1H-benzimidazol-2-amine
PubChem CID14793784
Molecular FormulaC21H26N4O
Molecular Weight350.47 g/mol
Exact Mass350.21
IUPAC NameN-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-1H-benzimidazol-2-amine
SMILESCOc1ccc(CCN2CCC(Nc3nc4ccccc4[nH]3)CC2)cc1
InChIInChI=1S/C21H26N4O/c1-26-18-8-6-16(7-9-18)10-13-25-14-11-17(12-15-25)22-21-23-19-4-2-3-5-20(19)24-21/h2-9,17H,10-15H2,1H3,(H2,22,23,24)
InChIKeyYBWSIMOGOMHTBV-UHFFFAOYSA-N
XLogP3.69
TPSA53.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-1H-benzimidazol-2-amine?
The IUPAC name of N-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-1H-benzimidazol-2-amine (CID 14793784) is N-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-1H-benzimidazol-2-amine.
What is the SMILES notation for N-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-1H-benzimidazol-2-amine?
The canonical SMILES for N-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-1H-benzimidazol-2-amine is COc1ccc(CCN2CCC(Nc3nc4ccccc4[nH]3)CC2)cc1.
What is the InChIKey of N-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-1H-benzimidazol-2-amine?
The InChIKey is YBWSIMOGOMHTBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O/c1-26-18-8-6-16(7-9-18)10-13-25-14-11-17(12-15-25)22-21-23-19-4-2-3-5-20(19)24-21/h2-9,17H,10-15H2,1H3,(H2,22,23,24).
What are the key properties of N-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-1H-benzimidazol-2-amine?
N-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-1H-benzimidazol-2-amine has a molecular weight of 350.47 g/mol, XLogP of 3.69, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-1H-benzimidazol-2-amine is sourced from PubChem (CID 14793784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).