N-[(1-ethylbenzimidazol-2-yl)methyl]-1-[1-(2-methoxyethyl)piperidin-4-yl]-N-(pyridin-4-ylmethyl)methanamine

C25H35N5O — CID 28954005

IUPACN-[(1-ethylbenzimidazol-2-yl)methyl]-1-[1-(2-methoxyethyl)piperidin-4-yl]-N-(pyridin-4-ylmethyl)methanamine
SMILESCCn1c(CN(Cc2ccncc2)CC2CCN(CCOC)CC2)nc2ccccc21
InChIInChI=1S/C25H35N5O/c1-3-30-24-7-5-4-6-23(24)27-25(30)20-29(18-21-8-12-26-13-9-21)19-22-10-14-28(15-11-22)16-17-31-2/h4-9,12-13,22H,3,10-11,14-20H2,1-2H3
InChIKeyUGNGSIFVAVIGHK-UHFFFAOYSA-N
MW421.59 g/mol
LogP3.81
Rot. Bonds10

About N-[(1-ethylbenzimidazol-2-yl)methyl]-1-[1-(2-methoxyethyl)piperidin-4-yl]-N-(pyridin-4-ylmethyl)methanamine

N-[(1-ethylbenzimidazol-2-yl)methyl]-1-[1-(2-methoxyethyl)piperidin-4-yl]-N-(pyridin-4-ylmethyl)methanamine (PubChem CID 28954005) has the molecular formula C25H35N5O and a molecular weight of 421.59 g/mol. Its IUPAC name is N-[(1-ethylbenzimidazol-2-yl)methyl]-1-[1-(2-methoxyethyl)piperidin-4-yl]-N-(pyridin-4-ylmethyl)methanamine.

Molecular Properties

Compound NameN-[(1-ethylbenzimidazol-2-yl)methyl]-1-[1-(2-methoxyethyl)piperidin-4-yl]-N-(pyridin-4-ylmethyl)methanamine
PubChem CID28954005
Molecular FormulaC25H35N5O
Molecular Weight421.59 g/mol
Exact Mass421.28
IUPAC NameN-[(1-ethylbenzimidazol-2-yl)methyl]-1-[1-(2-methoxyethyl)piperidin-4-yl]-N-(pyridin-4-ylmethyl)methanamine
SMILESCCn1c(CN(Cc2ccncc2)CC2CCN(CCOC)CC2)nc2ccccc21
InChIInChI=1S/C25H35N5O/c1-3-30-24-7-5-4-6-23(24)27-25(30)20-29(18-21-8-12-26-13-9-21)19-22-10-14-28(15-11-22)16-17-31-2/h4-9,12-13,22H,3,10-11,14-20H2,1-2H3
InChIKeyUGNGSIFVAVIGHK-UHFFFAOYSA-N
XLogP3.81
TPSA46.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.59
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylbenzimidazol-2-yl)methyl]-1-[1-(2-methoxyethyl)piperidin-4-yl]-N-(pyridin-4-ylmethyl)methanamine?
The IUPAC name of N-[(1-ethylbenzimidazol-2-yl)methyl]-1-[1-(2-methoxyethyl)piperidin-4-yl]-N-(pyridin-4-ylmethyl)methanamine (CID 28954005) is N-[(1-ethylbenzimidazol-2-yl)methyl]-1-[1-(2-methoxyethyl)piperidin-4-yl]-N-(pyridin-4-ylmethyl)methanamine.
What is the SMILES notation for N-[(1-ethylbenzimidazol-2-yl)methyl]-1-[1-(2-methoxyethyl)piperidin-4-yl]-N-(pyridin-4-ylmethyl)methanamine?
The canonical SMILES for N-[(1-ethylbenzimidazol-2-yl)methyl]-1-[1-(2-methoxyethyl)piperidin-4-yl]-N-(pyridin-4-ylmethyl)methanamine is CCn1c(CN(Cc2ccncc2)CC2CCN(CCOC)CC2)nc2ccccc21.
What is the InChIKey of N-[(1-ethylbenzimidazol-2-yl)methyl]-1-[1-(2-methoxyethyl)piperidin-4-yl]-N-(pyridin-4-ylmethyl)methanamine?
The InChIKey is UGNGSIFVAVIGHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N5O/c1-3-30-24-7-5-4-6-23(24)27-25(30)20-29(18-21-8-12-26-13-9-21)19-22-10-14-28(15-11-22)16-17-31-2/h4-9,12-13,22H,3,10-11,14-20H2,1-2H3.
What are the key properties of N-[(1-ethylbenzimidazol-2-yl)methyl]-1-[1-(2-methoxyethyl)piperidin-4-yl]-N-(pyridin-4-ylmethyl)methanamine?
N-[(1-ethylbenzimidazol-2-yl)methyl]-1-[1-(2-methoxyethyl)piperidin-4-yl]-N-(pyridin-4-ylmethyl)methanamine has a molecular weight of 421.59 g/mol, XLogP of 3.81, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylbenzimidazol-2-yl)methyl]-1-[1-(2-methoxyethyl)piperidin-4-yl]-N-(pyridin-4-ylmethyl)methanamine is sourced from PubChem (CID 28954005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).