N'-(1H-imidazol-2-ylmethyl)-N,N-dimethyl-N'-[(5-methylthiophen-2-yl)methyl]ethane-1,2-diamine

C14H22N4S — CID 46984947

IUPACN'-(1H-imidazol-2-ylmethyl)-N,N-dimethyl-N'-[(5-methylthiophen-2-yl)methyl]ethane-1,2-diamine
SMILESCc1ccc(CN(CCN(C)C)Cc2ncc[nH]2)s1
InChIInChI=1S/C14H22N4S/c1-12-4-5-13(19-12)10-18(9-8-17(2)3)11-14-15-6-7-16-14/h4-7H,8-11H2,1-3H3,(H,15,16)
InChIKeyUNYSXSBAXXXANR-UHFFFAOYSA-N
MW278.43 g/mol
LogP2.34
Rot. Bonds7

About N'-(1H-imidazol-2-ylmethyl)-N,N-dimethyl-N'-[(5-methylthiophen-2-yl)methyl]ethane-1,2-diamine

N'-(1H-imidazol-2-ylmethyl)-N,N-dimethyl-N'-[(5-methylthiophen-2-yl)methyl]ethane-1,2-diamine (PubChem CID 46984947) has the molecular formula C14H22N4S and a molecular weight of 278.43 g/mol. Its IUPAC name is N'-(1H-imidazol-2-ylmethyl)-N,N-dimethyl-N'-[(5-methylthiophen-2-yl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(1H-imidazol-2-ylmethyl)-N,N-dimethyl-N'-[(5-methylthiophen-2-yl)methyl]ethane-1,2-diamine
PubChem CID46984947
Molecular FormulaC14H22N4S
Molecular Weight278.43 g/mol
Exact Mass278.16
IUPAC NameN'-(1H-imidazol-2-ylmethyl)-N,N-dimethyl-N'-[(5-methylthiophen-2-yl)methyl]ethane-1,2-diamine
SMILESCc1ccc(CN(CCN(C)C)Cc2ncc[nH]2)s1
InChIInChI=1S/C14H22N4S/c1-12-4-5-13(19-12)10-18(9-8-17(2)3)11-14-15-6-7-16-14/h4-7H,8-11H2,1-3H3,(H,15,16)
InChIKeyUNYSXSBAXXXANR-UHFFFAOYSA-N
XLogP2.34
TPSA35.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.43
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-methylthiophen-2-yl)methyl]pyrazin-2-amine
CID 3699358
2-(thiophen-2-yl)-1H-imidazole
CID 4291023
2-(2-Thienylmethyl)histamine
CID 10058864
2-(2-Thienyl)histamine
CID 11819933
3-imidazol-1-yl-N-[(5-methylthiophen-2-yl)methyl]-N-(thiophen-2-ylmethyl)propan-1-amine
CID 16676786
3-imidazol-1-yl-N-(1H-imidazol-5-ylmethyl)-N-[(5-methylthiophen-2-yl)methyl]propan-1-amine
CID 16676839
N-(2-imidazol-1-ylethyl)-2-thiophen-2-ylpyrrolidine-1-carboxamide
CID 45830128
N-(2-imidazol-1-ylethyl)-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide
CID 45830130
3-imidazol-1-yl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-N-[(5-methylthiophen-2-yl)methyl]propan-1-amine
CID 46962093
1-(1-Imidazol-1-ylpropan-2-yl)-3-(2-thiophen-2-ylethyl)urea
CID 47220679
N-(2-imidazol-1-ylethyl)-4-(thiophen-2-ylmethyl)-1,4-diazepane-1-carboxamide
CID 51083644
N-(1-imidazol-1-ylpropan-2-yl)-4-(thiophen-2-ylmethyl)-1,4-diazepane-1-carboxamide
CID 51084841

Frequently Asked Questions

What is the IUPAC name of N'-(1H-imidazol-2-ylmethyl)-N,N-dimethyl-N'-[(5-methylthiophen-2-yl)methyl]ethane-1,2-diamine?
The IUPAC name of N'-(1H-imidazol-2-ylmethyl)-N,N-dimethyl-N'-[(5-methylthiophen-2-yl)methyl]ethane-1,2-diamine (CID 46984947) is N'-(1H-imidazol-2-ylmethyl)-N,N-dimethyl-N'-[(5-methylthiophen-2-yl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N'-(1H-imidazol-2-ylmethyl)-N,N-dimethyl-N'-[(5-methylthiophen-2-yl)methyl]ethane-1,2-diamine?
The canonical SMILES for N'-(1H-imidazol-2-ylmethyl)-N,N-dimethyl-N'-[(5-methylthiophen-2-yl)methyl]ethane-1,2-diamine is Cc1ccc(CN(CCN(C)C)Cc2ncc[nH]2)s1.
What is the InChIKey of N'-(1H-imidazol-2-ylmethyl)-N,N-dimethyl-N'-[(5-methylthiophen-2-yl)methyl]ethane-1,2-diamine?
The InChIKey is UNYSXSBAXXXANR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4S/c1-12-4-5-13(19-12)10-18(9-8-17(2)3)11-14-15-6-7-16-14/h4-7H,8-11H2,1-3H3,(H,15,16).
What are the key properties of N'-(1H-imidazol-2-ylmethyl)-N,N-dimethyl-N'-[(5-methylthiophen-2-yl)methyl]ethane-1,2-diamine?
N'-(1H-imidazol-2-ylmethyl)-N,N-dimethyl-N'-[(5-methylthiophen-2-yl)methyl]ethane-1,2-diamine has a molecular weight of 278.43 g/mol, XLogP of 2.34, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1H-imidazol-2-ylmethyl)-N,N-dimethyl-N'-[(5-methylthiophen-2-yl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 46984947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).