N-[(2-methyl-3-phenylimidazol-4-yl)methyl]-2-methylsulfanylethanamine

C14H19N3S — CID 79177785

IUPACN-[(2-methyl-3-phenylimidazol-4-yl)methyl]-2-methylsulfanylethanamine
SMILESCSCCNCc1cnc(C)n1-c1ccccc1
InChIInChI=1S/C14H19N3S/c1-12-16-11-14(10-15-8-9-18-2)17(12)13-6-4-3-5-7-13/h3-7,11,15H,8-10H2,1-2H3
InChIKeyFJDDCFDQRKDPRB-UHFFFAOYSA-N
MW261.39 g/mol
LogP2.63
Rot. Bonds6

About N-[(2-methyl-3-phenylimidazol-4-yl)methyl]-2-methylsulfanylethanamine

N-[(2-methyl-3-phenylimidazol-4-yl)methyl]-2-methylsulfanylethanamine (PubChem CID 79177785) has the molecular formula C14H19N3S and a molecular weight of 261.39 g/mol. Its IUPAC name is N-[(2-methyl-3-phenylimidazol-4-yl)methyl]-2-methylsulfanylethanamine.

Molecular Properties

Compound NameN-[(2-methyl-3-phenylimidazol-4-yl)methyl]-2-methylsulfanylethanamine
PubChem CID79177785
Molecular FormulaC14H19N3S
Molecular Weight261.39 g/mol
Exact Mass261.13
IUPAC NameN-[(2-methyl-3-phenylimidazol-4-yl)methyl]-2-methylsulfanylethanamine
SMILESCSCCNCc1cnc(C)n1-c1ccccc1
InChIInChI=1S/C14H19N3S/c1-12-16-11-14(10-15-8-9-18-2)17(12)13-6-4-3-5-7-13/h3-7,11,15H,8-10H2,1-2H3
InChIKeyFJDDCFDQRKDPRB-UHFFFAOYSA-N
XLogP2.63
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 52.63
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-[(2-methyl-3-phenylimidazol-4-yl)methyl]pentan-1-amine
CID 79178650
5-[(2-methyl-3-phenylimidazol-4-yl)methylamino]pentan-1-ol
CID 107302931
N-[(2-methyl-3-phenylimidazol-4-yl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine
CID 106395442
4-methyl-1-[(2-methyl-3-phenylimidazol-4-yl)methylamino]pentan-3-ol
CID 111969454
N-[(2-methyl-3-phenylimidazol-4-yl)methyl]prop-2-en-1-amine
CID 79179946
5-[(2-methyl-3-phenylimidazol-4-yl)methylamino]pentanamide
CID 106233404
N-[(2-methyl-3-phenylimidazol-4-yl)methyl]-3-propan-2-yloxypropan-1-amine
CID 79178221
1-(2-methyl-3-phenylimidazol-4-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine
CID 106392406
N-[(2-methyl-3-phenylimidazol-4-yl)methyl]-1-pyridin-3-ylmethanamine
CID 79036219
2-methoxy-N-[(2-methyl-3-phenylimidazol-4-yl)methyl]propan-1-amine
CID 102695833
N'-methyl-N-[(2-methyl-3-phenylimidazol-4-yl)methyl]-N'-prop-2-ynylpropane-1,3-diamine
CID 126816091
2-methyl-N-[(2-methyl-3-phenylimidazol-4-yl)methyl]aniline
CID 79179309

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-3-phenylimidazol-4-yl)methyl]-2-methylsulfanylethanamine?
The IUPAC name of N-[(2-methyl-3-phenylimidazol-4-yl)methyl]-2-methylsulfanylethanamine (CID 79177785) is N-[(2-methyl-3-phenylimidazol-4-yl)methyl]-2-methylsulfanylethanamine.
What is the SMILES notation for N-[(2-methyl-3-phenylimidazol-4-yl)methyl]-2-methylsulfanylethanamine?
The canonical SMILES for N-[(2-methyl-3-phenylimidazol-4-yl)methyl]-2-methylsulfanylethanamine is CSCCNCc1cnc(C)n1-c1ccccc1.
What is the InChIKey of N-[(2-methyl-3-phenylimidazol-4-yl)methyl]-2-methylsulfanylethanamine?
The InChIKey is FJDDCFDQRKDPRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3S/c1-12-16-11-14(10-15-8-9-18-2)17(12)13-6-4-3-5-7-13/h3-7,11,15H,8-10H2,1-2H3.
What are the key properties of N-[(2-methyl-3-phenylimidazol-4-yl)methyl]-2-methylsulfanylethanamine?
N-[(2-methyl-3-phenylimidazol-4-yl)methyl]-2-methylsulfanylethanamine has a molecular weight of 261.39 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-3-phenylimidazol-4-yl)methyl]-2-methylsulfanylethanamine is sourced from PubChem (CID 79177785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).