1-[2-(2-methylimidazol-1-yl)phenyl]-N-[(2-propylsulfanylpyrimidin-5-yl)methyl]methanamine

C19H23N5S — CID 50954576

IUPAC1-[2-(2-methylimidazol-1-yl)phenyl]-N-[(2-propylsulfanylpyrimidin-5-yl)methyl]methanamine
SMILESCCCSc1ncc(CNCc2ccccc2-n2ccnc2C)cn1
InChIInChI=1S/C19H23N5S/c1-3-10-25-19-22-12-16(13-23-19)11-20-14-17-6-4-5-7-18(17)24-9-8-21-15(24)2/h4-9,12-13,20H,3,10-11,14H2,1-2H3
InChIKeyPMQDVVUDOKPQCE-UHFFFAOYSA-N
MW353.50 g/mol
LogP3.76
Rot. Bonds8

About 1-[2-(2-methylimidazol-1-yl)phenyl]-N-[(2-propylsulfanylpyrimidin-5-yl)methyl]methanamine

1-[2-(2-methylimidazol-1-yl)phenyl]-N-[(2-propylsulfanylpyrimidin-5-yl)methyl]methanamine (PubChem CID 50954576) has the molecular formula C19H23N5S and a molecular weight of 353.50 g/mol. Its IUPAC name is 1-[2-(2-methylimidazol-1-yl)phenyl]-N-[(2-propylsulfanylpyrimidin-5-yl)methyl]methanamine.

Molecular Properties

Compound Name1-[2-(2-methylimidazol-1-yl)phenyl]-N-[(2-propylsulfanylpyrimidin-5-yl)methyl]methanamine
PubChem CID50954576
Molecular FormulaC19H23N5S
Molecular Weight353.50 g/mol
Exact Mass353.17
IUPAC Name1-[2-(2-methylimidazol-1-yl)phenyl]-N-[(2-propylsulfanylpyrimidin-5-yl)methyl]methanamine
SMILESCCCSc1ncc(CNCc2ccccc2-n2ccnc2C)cn1
InChIInChI=1S/C19H23N5S/c1-3-10-25-19-22-12-16(13-23-19)11-20-14-17-6-4-5-7-18(17)24-9-8-21-15(24)2/h4-9,12-13,20H,3,10-11,14H2,1-2H3
InChIKeyPMQDVVUDOKPQCE-UHFFFAOYSA-N
XLogP3.76
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.50
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2-fluorophenyl)methyl]-1-[6-(2-methylimidazol-1-yl)-3-pyridinyl]methanamine
CID 51086201
2-methyl-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]propanamide
CID 48734949
N-[(2-methoxyphenyl)methyl]-1-[6-(2-methylimidazol-1-yl)-3-pyridinyl]methanamine
CID 51086203
2-methyl-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-5-propylpyrimidin-4-amine
CID 135115289
N-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]propan-1-amine
CID 62293470
1-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]-N-[(2-methoxyphenyl)methyl]methanamine
CID 47078008
N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]benzenesulfonamide
CID 46764245
(2S)-2-benzylsulfanyl-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]propanamide
CID 92678022
9-methyl-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]purin-2-amine
CID 162627078
3-[3-[[[2-(2-methylimidazol-1-yl)phenyl]methylamino]methyl]indol-1-yl]propanamide
CID 46985571
N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-3-pyridin-3-ylpropanamide
CID 48735080
N-[(2-ethylsulfanylpyrimidin-5-yl)methyl]-1-(2-morpholin-4-yl-3-pyridinyl)methanamine
CID 26336284

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methylimidazol-1-yl)phenyl]-N-[(2-propylsulfanylpyrimidin-5-yl)methyl]methanamine?
The IUPAC name of 1-[2-(2-methylimidazol-1-yl)phenyl]-N-[(2-propylsulfanylpyrimidin-5-yl)methyl]methanamine (CID 50954576) is 1-[2-(2-methylimidazol-1-yl)phenyl]-N-[(2-propylsulfanylpyrimidin-5-yl)methyl]methanamine.
What is the SMILES notation for 1-[2-(2-methylimidazol-1-yl)phenyl]-N-[(2-propylsulfanylpyrimidin-5-yl)methyl]methanamine?
The canonical SMILES for 1-[2-(2-methylimidazol-1-yl)phenyl]-N-[(2-propylsulfanylpyrimidin-5-yl)methyl]methanamine is CCCSc1ncc(CNCc2ccccc2-n2ccnc2C)cn1.
What is the InChIKey of 1-[2-(2-methylimidazol-1-yl)phenyl]-N-[(2-propylsulfanylpyrimidin-5-yl)methyl]methanamine?
The InChIKey is PMQDVVUDOKPQCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5S/c1-3-10-25-19-22-12-16(13-23-19)11-20-14-17-6-4-5-7-18(17)24-9-8-21-15(24)2/h4-9,12-13,20H,3,10-11,14H2,1-2H3.
What are the key properties of 1-[2-(2-methylimidazol-1-yl)phenyl]-N-[(2-propylsulfanylpyrimidin-5-yl)methyl]methanamine?
1-[2-(2-methylimidazol-1-yl)phenyl]-N-[(2-propylsulfanylpyrimidin-5-yl)methyl]methanamine has a molecular weight of 353.50 g/mol, XLogP of 3.76, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methylimidazol-1-yl)phenyl]-N-[(2-propylsulfanylpyrimidin-5-yl)methyl]methanamine is sourced from PubChem (CID 50954576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).