N,N,N'-trimethyl-N'-[1-[3-(1-methylbenzimidazol-2-yl)phenyl]piperidin-4-yl]ethane-1,2-diamine

C24H33N5 — CID 59568340

IUPACN,N,N'-trimethyl-N'-[1-[3-(1-methylbenzimidazol-2-yl)phenyl]piperidin-4-yl]ethane-1,2-diamine
SMILESCN(C)CCN(C)C1CCN(c2cccc(-c3nc4ccccc4n3C)c2)CC1
InChIInChI=1S/C24H33N5/c1-26(2)16-17-27(3)20-12-14-29(15-13-20)21-9-7-8-19(18-21)24-25-22-10-5-6-11-23(22)28(24)4/h5-11,18,20H,12-17H2,1-4H3
InChIKeyZKIQCADNFKAIOC-UHFFFAOYSA-N
MW391.56 g/mol
LogP3.70
Rot. Bonds6

About N,N,N'-trimethyl-N'-[1-[3-(1-methylbenzimidazol-2-yl)phenyl]piperidin-4-yl]ethane-1,2-diamine

N,N,N'-trimethyl-N'-[1-[3-(1-methylbenzimidazol-2-yl)phenyl]piperidin-4-yl]ethane-1,2-diamine (PubChem CID 59568340) has the molecular formula C24H33N5 and a molecular weight of 391.56 g/mol. Its IUPAC name is N,N,N'-trimethyl-N'-[1-[3-(1-methylbenzimidazol-2-yl)phenyl]piperidin-4-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN,N,N'-trimethyl-N'-[1-[3-(1-methylbenzimidazol-2-yl)phenyl]piperidin-4-yl]ethane-1,2-diamine
PubChem CID59568340
Molecular FormulaC24H33N5
Molecular Weight391.56 g/mol
Exact Mass391.27
IUPAC NameN,N,N'-trimethyl-N'-[1-[3-(1-methylbenzimidazol-2-yl)phenyl]piperidin-4-yl]ethane-1,2-diamine
SMILESCN(C)CCN(C)C1CCN(c2cccc(-c3nc4ccccc4n3C)c2)CC1
InChIInChI=1S/C24H33N5/c1-26(2)16-17-27(3)20-12-14-29(15-13-20)21-9-7-8-19(18-21)24-25-22-10-5-6-11-23(22)28(24)4/h5-11,18,20H,12-17H2,1-4H3
InChIKeyZKIQCADNFKAIOC-UHFFFAOYSA-N
XLogP3.70
TPSA27.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.56
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N,N'-trimethyl-N'-[1-[3-(1-methylbenzimidazol-2-yl)phenyl]piperidin-4-yl]ethane-1,2-diamine?
The IUPAC name of N,N,N'-trimethyl-N'-[1-[3-(1-methylbenzimidazol-2-yl)phenyl]piperidin-4-yl]ethane-1,2-diamine (CID 59568340) is N,N,N'-trimethyl-N'-[1-[3-(1-methylbenzimidazol-2-yl)phenyl]piperidin-4-yl]ethane-1,2-diamine.
What is the SMILES notation for N,N,N'-trimethyl-N'-[1-[3-(1-methylbenzimidazol-2-yl)phenyl]piperidin-4-yl]ethane-1,2-diamine?
The canonical SMILES for N,N,N'-trimethyl-N'-[1-[3-(1-methylbenzimidazol-2-yl)phenyl]piperidin-4-yl]ethane-1,2-diamine is CN(C)CCN(C)C1CCN(c2cccc(-c3nc4ccccc4n3C)c2)CC1.
What is the InChIKey of N,N,N'-trimethyl-N'-[1-[3-(1-methylbenzimidazol-2-yl)phenyl]piperidin-4-yl]ethane-1,2-diamine?
The InChIKey is ZKIQCADNFKAIOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N5/c1-26(2)16-17-27(3)20-12-14-29(15-13-20)21-9-7-8-19(18-21)24-25-22-10-5-6-11-23(22)28(24)4/h5-11,18,20H,12-17H2,1-4H3.
What are the key properties of N,N,N'-trimethyl-N'-[1-[3-(1-methylbenzimidazol-2-yl)phenyl]piperidin-4-yl]ethane-1,2-diamine?
N,N,N'-trimethyl-N'-[1-[3-(1-methylbenzimidazol-2-yl)phenyl]piperidin-4-yl]ethane-1,2-diamine has a molecular weight of 391.56 g/mol, XLogP of 3.70, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,N'-trimethyl-N'-[1-[3-(1-methylbenzimidazol-2-yl)phenyl]piperidin-4-yl]ethane-1,2-diamine is sourced from PubChem (CID 59568340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).