N-[(1-ethylbenzimidazol-2-yl)methyl]-2,2,6,6-tetramethyl-N-(pyridin-4-ylmethyl)piperidin-4-amine

C25H35N5 — CID 46962712

IUPACN-[(1-ethylbenzimidazol-2-yl)methyl]-2,2,6,6-tetramethyl-N-(pyridin-4-ylmethyl)piperidin-4-amine
SMILESCCn1c(CN(Cc2ccncc2)C2CC(C)(C)NC(C)(C)C2)nc2ccccc21
InChIInChI=1S/C25H35N5/c1-6-30-22-10-8-7-9-21(22)27-23(30)18-29(17-19-11-13-26-14-12-19)20-15-24(2,3)28-25(4,5)16-20/h7-14,20,28H,6,15-18H2,1-5H3
InChIKeyYAQRWKRRBZWNIC-UHFFFAOYSA-N
MW405.59 g/mol
LogP4.76
Rot. Bonds6

About N-[(1-ethylbenzimidazol-2-yl)methyl]-2,2,6,6-tetramethyl-N-(pyridin-4-ylmethyl)piperidin-4-amine

N-[(1-ethylbenzimidazol-2-yl)methyl]-2,2,6,6-tetramethyl-N-(pyridin-4-ylmethyl)piperidin-4-amine (PubChem CID 46962712) has the molecular formula C25H35N5 and a molecular weight of 405.59 g/mol. Its IUPAC name is N-[(1-ethylbenzimidazol-2-yl)methyl]-2,2,6,6-tetramethyl-N-(pyridin-4-ylmethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-[(1-ethylbenzimidazol-2-yl)methyl]-2,2,6,6-tetramethyl-N-(pyridin-4-ylmethyl)piperidin-4-amine
PubChem CID46962712
Molecular FormulaC25H35N5
Molecular Weight405.59 g/mol
Exact Mass405.29
IUPAC NameN-[(1-ethylbenzimidazol-2-yl)methyl]-2,2,6,6-tetramethyl-N-(pyridin-4-ylmethyl)piperidin-4-amine
SMILESCCn1c(CN(Cc2ccncc2)C2CC(C)(C)NC(C)(C)C2)nc2ccccc21
InChIInChI=1S/C25H35N5/c1-6-30-22-10-8-7-9-21(22)27-23(30)18-29(17-19-11-13-26-14-12-19)20-15-24(2,3)28-25(4,5)16-20/h7-14,20,28H,6,15-18H2,1-5H3
InChIKeyYAQRWKRRBZWNIC-UHFFFAOYSA-N
XLogP4.76
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.59
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylbenzimidazol-2-yl)methyl]-2,2,6,6-tetramethyl-N-(pyridin-4-ylmethyl)piperidin-4-amine?
The IUPAC name of N-[(1-ethylbenzimidazol-2-yl)methyl]-2,2,6,6-tetramethyl-N-(pyridin-4-ylmethyl)piperidin-4-amine (CID 46962712) is N-[(1-ethylbenzimidazol-2-yl)methyl]-2,2,6,6-tetramethyl-N-(pyridin-4-ylmethyl)piperidin-4-amine.
What is the SMILES notation for N-[(1-ethylbenzimidazol-2-yl)methyl]-2,2,6,6-tetramethyl-N-(pyridin-4-ylmethyl)piperidin-4-amine?
The canonical SMILES for N-[(1-ethylbenzimidazol-2-yl)methyl]-2,2,6,6-tetramethyl-N-(pyridin-4-ylmethyl)piperidin-4-amine is CCn1c(CN(Cc2ccncc2)C2CC(C)(C)NC(C)(C)C2)nc2ccccc21.
What is the InChIKey of N-[(1-ethylbenzimidazol-2-yl)methyl]-2,2,6,6-tetramethyl-N-(pyridin-4-ylmethyl)piperidin-4-amine?
The InChIKey is YAQRWKRRBZWNIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N5/c1-6-30-22-10-8-7-9-21(22)27-23(30)18-29(17-19-11-13-26-14-12-19)20-15-24(2,3)28-25(4,5)16-20/h7-14,20,28H,6,15-18H2,1-5H3.
What are the key properties of N-[(1-ethylbenzimidazol-2-yl)methyl]-2,2,6,6-tetramethyl-N-(pyridin-4-ylmethyl)piperidin-4-amine?
N-[(1-ethylbenzimidazol-2-yl)methyl]-2,2,6,6-tetramethyl-N-(pyridin-4-ylmethyl)piperidin-4-amine has a molecular weight of 405.59 g/mol, XLogP of 4.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylbenzimidazol-2-yl)methyl]-2,2,6,6-tetramethyl-N-(pyridin-4-ylmethyl)piperidin-4-amine is sourced from PubChem (CID 46962712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).