N,N'-dimethyl-N'-[(1-propylbenzimidazol-2-yl)methyl]ethane-1,2-diamine

C15H24N4 — CID 79753322

IUPACN,N'-dimethyl-N'-[(1-propylbenzimidazol-2-yl)methyl]ethane-1,2-diamine
SMILESCCCn1c(CN(C)CCNC)nc2ccccc21
InChIInChI=1S/C15H24N4/c1-4-10-19-14-8-6-5-7-13(14)17-15(19)12-18(3)11-9-16-2/h5-8,16H,4,9-12H2,1-3H3
InChIKeyLMMKNWWJYCOVTE-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.10
Rot. Bonds7

About N,N'-dimethyl-N'-[(1-propylbenzimidazol-2-yl)methyl]ethane-1,2-diamine

N,N'-dimethyl-N'-[(1-propylbenzimidazol-2-yl)methyl]ethane-1,2-diamine (PubChem CID 79753322) has the molecular formula C15H24N4 and a molecular weight of 260.38 g/mol. Its IUPAC name is N,N'-dimethyl-N'-[(1-propylbenzimidazol-2-yl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN,N'-dimethyl-N'-[(1-propylbenzimidazol-2-yl)methyl]ethane-1,2-diamine
PubChem CID79753322
Molecular FormulaC15H24N4
Molecular Weight260.38 g/mol
Exact Mass260.20
IUPAC NameN,N'-dimethyl-N'-[(1-propylbenzimidazol-2-yl)methyl]ethane-1,2-diamine
SMILESCCCn1c(CN(C)CCNC)nc2ccccc21
InChIInChI=1S/C15H24N4/c1-4-10-19-14-8-6-5-7-13(14)17-15(19)12-18(3)11-9-16-2/h5-8,16H,4,9-12H2,1-3H3
InChIKeyLMMKNWWJYCOVTE-UHFFFAOYSA-N
XLogP2.10
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-phenyl-N-[(1-propylbenzimidazol-2-yl)methyl]methanamine;hydrochloride
CID 171151744
N-methyl-4-(1-propylbenzimidazol-2-yl)butan-1-amine
CID 79750802
1-propyl-2-[(1-propylbenzimidazol-2-yl)methyl]benzimidazole
CID 102471082
2-(2-ethylbenzimidazol-1-yl)-N-methylethanamine
CID 53211283
N,N-dimethyl-3-(1-propylbenzimidazol-2-yl)propan-1-amine
CID 170866848
1-propyl-2-[(1-propylbenzimidazol-2-yl)methoxymethyl]benzimidazole
CID 11302951
2-[(1-propylbenzimidazol-2-yl)methylamino]ethanol
CID 54905664
2-[2-[(dipropylamino)methyl]benzimidazol-1-yl]ethanol
CID 82311619
N,2-dimethyl-4-(1-propylbenzimidazol-2-yl)butan-1-amine
CID 79751254
cerium;bis(1-(1-propylbenzimidazol-2-yl)-N,N-bis[(1-propylbenzimidazol-2-yl)methyl]methanamine);tris(trifluoromethanesulfonate)
CID 162291421
N-[2-(2-ethylbenzimidazol-1-yl)ethyl]-N',N'-dimethylethane-1,2-diamine
CID 63106194
N-methyl-6-[(1-propylbenzimidazol-2-yl)methyl]pyridin-2-amine
CID 79755294

Frequently Asked Questions

What is the IUPAC name of N,N'-dimethyl-N'-[(1-propylbenzimidazol-2-yl)methyl]ethane-1,2-diamine?
The IUPAC name of N,N'-dimethyl-N'-[(1-propylbenzimidazol-2-yl)methyl]ethane-1,2-diamine (CID 79753322) is N,N'-dimethyl-N'-[(1-propylbenzimidazol-2-yl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N,N'-dimethyl-N'-[(1-propylbenzimidazol-2-yl)methyl]ethane-1,2-diamine?
The canonical SMILES for N,N'-dimethyl-N'-[(1-propylbenzimidazol-2-yl)methyl]ethane-1,2-diamine is CCCn1c(CN(C)CCNC)nc2ccccc21.
What is the InChIKey of N,N'-dimethyl-N'-[(1-propylbenzimidazol-2-yl)methyl]ethane-1,2-diamine?
The InChIKey is LMMKNWWJYCOVTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4/c1-4-10-19-14-8-6-5-7-13(14)17-15(19)12-18(3)11-9-16-2/h5-8,16H,4,9-12H2,1-3H3.
What are the key properties of N,N'-dimethyl-N'-[(1-propylbenzimidazol-2-yl)methyl]ethane-1,2-diamine?
N,N'-dimethyl-N'-[(1-propylbenzimidazol-2-yl)methyl]ethane-1,2-diamine has a molecular weight of 260.38 g/mol, XLogP of 2.10, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethyl-N'-[(1-propylbenzimidazol-2-yl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 79753322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).