N'-(1H-indol-7-ylmethyl)-N,N-dimethyl-N'-[(5-methyl-1H-imidazol-4-yl)methyl]ethane-1,2-diamine

C18H25N5 — CID 135088110

IUPACN'-(1H-indol-7-ylmethyl)-N,N-dimethyl-N'-[(5-methyl-1H-imidazol-4-yl)methyl]ethane-1,2-diamine
SMILESCc1[nH]cnc1CN(CCN(C)C)Cc1cccc2cc[nH]c12
InChIInChI=1S/C18H25N5/c1-14-17(21-13-20-14)12-23(10-9-22(2)3)11-16-6-4-5-15-7-8-19-18(15)16/h4-8,13,19H,9-12H2,1-3H3,(H,20,21)
InChIKeyIRXPIZJZSVOWSY-UHFFFAOYSA-N
MW311.43 g/mol
LogP2.76
Rot. Bonds7

About N'-(1H-indol-7-ylmethyl)-N,N-dimethyl-N'-[(5-methyl-1H-imidazol-4-yl)methyl]ethane-1,2-diamine

N'-(1H-indol-7-ylmethyl)-N,N-dimethyl-N'-[(5-methyl-1H-imidazol-4-yl)methyl]ethane-1,2-diamine (PubChem CID 135088110) has the molecular formula C18H25N5 and a molecular weight of 311.43 g/mol. Its IUPAC name is N'-(1H-indol-7-ylmethyl)-N,N-dimethyl-N'-[(5-methyl-1H-imidazol-4-yl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(1H-indol-7-ylmethyl)-N,N-dimethyl-N'-[(5-methyl-1H-imidazol-4-yl)methyl]ethane-1,2-diamine
PubChem CID135088110
Molecular FormulaC18H25N5
Molecular Weight311.43 g/mol
Exact Mass311.21
IUPAC NameN'-(1H-indol-7-ylmethyl)-N,N-dimethyl-N'-[(5-methyl-1H-imidazol-4-yl)methyl]ethane-1,2-diamine
SMILESCc1[nH]cnc1CN(CCN(C)C)Cc1cccc2cc[nH]c12
InChIInChI=1S/C18H25N5/c1-14-17(21-13-20-14)12-23(10-9-22(2)3)11-16-6-4-5-15-7-8-19-18(15)16/h4-8,13,19H,9-12H2,1-3H3,(H,20,21)
InChIKeyIRXPIZJZSVOWSY-UHFFFAOYSA-N
XLogP2.76
TPSA50.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N'-[(2,6-difluoro-4-methoxyphenyl)methyl]-N,N-dimethyl-N'-[(5-methyl-1H-imidazol-4-yl)methyl]ethane-1,2-diamine
CID 135102174
2-[4-chloro-2-[[2-(dimethylamino)ethyl-[(5-methyl-1H-imidazol-4-yl)methyl]amino]methyl]phenoxy]acetic acid
CID 135087478
N'-[(5-chloro-2,3-dimethoxyphenyl)methyl]-N,N-dimethyl-N'-[(5-methyl-1H-imidazol-4-yl)methyl]ethane-1,2-diamine
CID 135118869
N'-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N,N-dimethyl-N'-[(5-methyl-1H-imidazol-4-yl)methyl]ethane-1,2-diamine
CID 135087538
N'-(1H-imidazol-2-ylmethyl)-N,N-dimethyl-N'-[(2-methylphenyl)methyl]ethane-1,2-diamine
CID 46985889
N-(1H-indol-7-ylmethyl)-N-methyl-3-(4-methylphenyl)prop-2-en-1-amine
CID 176731953
1-[2-[(dimethylamino)methyl]phenyl]-N-[(5-methyl-1H-imidazol-4-yl)methyl]methanamine
CID 62748853
N-[(5-methyl-1H-imidazol-4-yl)methyl]-1-naphthalen-1-ylmethanamine
CID 62742307
N-[(5-methyl-1H-imidazol-4-yl)methyl]-N-(2-phenylethyl)propan-1-amine
CID 131949926
2-[2-(1H-indol-7-yl)ethyl-methylamino]ethanol
CID 20729409
2-[1H-indol-7-ylmethyl(methyl)amino]ethanol;2-[1H-indol-7-ylmethyl(methyl)amino]ethyl methanesulfonate
CID 159652116
N-[2-(dimethylamino)ethyl]-N-[(5-methyl-1H-imidazol-4-yl)methyl]-2-phenylpropanamide
CID 135103279

Frequently Asked Questions

What is the IUPAC name of N'-(1H-indol-7-ylmethyl)-N,N-dimethyl-N'-[(5-methyl-1H-imidazol-4-yl)methyl]ethane-1,2-diamine?
The IUPAC name of N'-(1H-indol-7-ylmethyl)-N,N-dimethyl-N'-[(5-methyl-1H-imidazol-4-yl)methyl]ethane-1,2-diamine (CID 135088110) is N'-(1H-indol-7-ylmethyl)-N,N-dimethyl-N'-[(5-methyl-1H-imidazol-4-yl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N'-(1H-indol-7-ylmethyl)-N,N-dimethyl-N'-[(5-methyl-1H-imidazol-4-yl)methyl]ethane-1,2-diamine?
The canonical SMILES for N'-(1H-indol-7-ylmethyl)-N,N-dimethyl-N'-[(5-methyl-1H-imidazol-4-yl)methyl]ethane-1,2-diamine is Cc1[nH]cnc1CN(CCN(C)C)Cc1cccc2cc[nH]c12.
What is the InChIKey of N'-(1H-indol-7-ylmethyl)-N,N-dimethyl-N'-[(5-methyl-1H-imidazol-4-yl)methyl]ethane-1,2-diamine?
The InChIKey is IRXPIZJZSVOWSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5/c1-14-17(21-13-20-14)12-23(10-9-22(2)3)11-16-6-4-5-15-7-8-19-18(15)16/h4-8,13,19H,9-12H2,1-3H3,(H,20,21).
What are the key properties of N'-(1H-indol-7-ylmethyl)-N,N-dimethyl-N'-[(5-methyl-1H-imidazol-4-yl)methyl]ethane-1,2-diamine?
N'-(1H-indol-7-ylmethyl)-N,N-dimethyl-N'-[(5-methyl-1H-imidazol-4-yl)methyl]ethane-1,2-diamine has a molecular weight of 311.43 g/mol, XLogP of 2.76, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1H-indol-7-ylmethyl)-N,N-dimethyl-N'-[(5-methyl-1H-imidazol-4-yl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 135088110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).