N',N'-diethyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]propane-1,3-diamine

C17H28N4 — CID 43194800

IUPACN',N'-diethyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]propane-1,3-diamine
SMILESCCN(CC)CCCNC(C)c1nc2ccccc2n1C
InChIInChI=1S/C17H28N4/c1-5-21(6-2)13-9-12-18-14(3)17-19-15-10-7-8-11-16(15)20(17)4/h7-8,10-11,14,18H,5-6,9,12-13H2,1-4H3
InChIKeyGPZQIRAWXXWUAE-UHFFFAOYSA-N
MW288.44 g/mol
LogP2.96
Rot. Bonds8

About N',N'-diethyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]propane-1,3-diamine

N',N'-diethyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]propane-1,3-diamine (PubChem CID 43194800) has the molecular formula C17H28N4 and a molecular weight of 288.44 g/mol. Its IUPAC name is N',N'-diethyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]propane-1,3-diamine.

Molecular Properties

Compound NameN',N'-diethyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]propane-1,3-diamine
PubChem CID43194800
Molecular FormulaC17H28N4
Molecular Weight288.44 g/mol
Exact Mass288.23
IUPAC NameN',N'-diethyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]propane-1,3-diamine
SMILESCCN(CC)CCCNC(C)c1nc2ccccc2n1C
InChIInChI=1S/C17H28N4/c1-5-21(6-2)13-9-12-18-14(3)17-19-15-10-7-8-11-16(15)20(17)4/h7-8,10-11,14,18H,5-6,9,12-13H2,1-4H3
InChIKeyGPZQIRAWXXWUAE-UHFFFAOYSA-N
XLogP2.96
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[1-(1-methylbenzimidazol-2-yl)ethyl]butan-1-amine
CID 43192433
4-[1-(1-methylbenzimidazol-2-yl)ethylamino]butan-1-ol
CID 106840769
N-[1-(1-methylbenzimidazol-2-yl)ethyl]-3-pyrazol-1-ylpropan-1-amine
CID 115898295
1,1-dimethyl-3-[2-[1-(1-methylbenzimidazol-2-yl)ethylamino]ethyl]urea
CID 83108527
N-[1-(1-methylbenzimidazol-2-yl)ethyl]-2-methylsulfanylpropan-1-amine
CID 113350156
N-[1-(1-methylbenzimidazol-2-yl)ethyl]hexan-2-amine
CID 62197068
N-[1-(1-methylbenzimidazol-2-yl)ethyl]-3-methylsulfinylbutan-1-amine
CID 115898723
N-[1-(1-methylbenzimidazol-2-yl)ethyl]propan-2-amine
CID 43190090
N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]propanamide
CID 751102
N-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]formamide
CID 7574617
(1S)-N-[1-(1-methylbenzimidazol-2-yl)ethyl]-1-phenylethanamine
CID 81351559
(1S)-1-(1-methylbenzimidazol-2-yl)-N-(pyridin-3-ylmethyl)ethanamine
CID 28671585

Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]propane-1,3-diamine?
The IUPAC name of N',N'-diethyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]propane-1,3-diamine (CID 43194800) is N',N'-diethyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]propane-1,3-diamine.
What is the SMILES notation for N',N'-diethyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]propane-1,3-diamine?
The canonical SMILES for N',N'-diethyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]propane-1,3-diamine is CCN(CC)CCCNC(C)c1nc2ccccc2n1C.
What is the InChIKey of N',N'-diethyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]propane-1,3-diamine?
The InChIKey is GPZQIRAWXXWUAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4/c1-5-21(6-2)13-9-12-18-14(3)17-19-15-10-7-8-11-16(15)20(17)4/h7-8,10-11,14,18H,5-6,9,12-13H2,1-4H3.
What are the key properties of N',N'-diethyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]propane-1,3-diamine?
N',N'-diethyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]propane-1,3-diamine has a molecular weight of 288.44 g/mol, XLogP of 2.96, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]propane-1,3-diamine is sourced from PubChem (CID 43194800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).