N-[(2-methyl-1H-imidazol-5-yl)methyl]-1-pyridin-3-yl-N-(thiophen-3-ylmethyl)methanamine

C16H18N4S — CID 46995027

IUPACN-[(2-methyl-1H-imidazol-5-yl)methyl]-1-pyridin-3-yl-N-(thiophen-3-ylmethyl)methanamine
SMILESCc1ncc(CN(Cc2cccnc2)Cc2ccsc2)[nH]1
InChIInChI=1S/C16H18N4S/c1-13-18-8-16(19-13)11-20(10-15-4-6-21-12-15)9-14-3-2-5-17-7-14/h2-8,12H,9-11H2,1H3,(H,18,19)
InChIKeyUUKYJZZBFXXRNY-UHFFFAOYSA-N
MW298.42 g/mol
LogP3.38
Rot. Bonds6

About N-[(2-methyl-1H-imidazol-5-yl)methyl]-1-pyridin-3-yl-N-(thiophen-3-ylmethyl)methanamine

N-[(2-methyl-1H-imidazol-5-yl)methyl]-1-pyridin-3-yl-N-(thiophen-3-ylmethyl)methanamine (PubChem CID 46995027) has the molecular formula C16H18N4S and a molecular weight of 298.42 g/mol. Its IUPAC name is N-[(2-methyl-1H-imidazol-5-yl)methyl]-1-pyridin-3-yl-N-(thiophen-3-ylmethyl)methanamine.

Molecular Properties

Compound NameN-[(2-methyl-1H-imidazol-5-yl)methyl]-1-pyridin-3-yl-N-(thiophen-3-ylmethyl)methanamine
PubChem CID46995027
Molecular FormulaC16H18N4S
Molecular Weight298.42 g/mol
Exact Mass298.13
IUPAC NameN-[(2-methyl-1H-imidazol-5-yl)methyl]-1-pyridin-3-yl-N-(thiophen-3-ylmethyl)methanamine
SMILESCc1ncc(CN(Cc2cccnc2)Cc2ccsc2)[nH]1
InChIInChI=1S/C16H18N4S/c1-13-18-8-16(19-13)11-20(10-15-4-6-21-12-15)9-14-3-2-5-17-7-14/h2-8,12H,9-11H2,1H3,(H,18,19)
InChIKeyUUKYJZZBFXXRNY-UHFFFAOYSA-N
XLogP3.38
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.42
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-1H-imidazol-5-yl)methyl]-1-pyridin-3-yl-N-(thiophen-3-ylmethyl)methanamine?
The IUPAC name of N-[(2-methyl-1H-imidazol-5-yl)methyl]-1-pyridin-3-yl-N-(thiophen-3-ylmethyl)methanamine (CID 46995027) is N-[(2-methyl-1H-imidazol-5-yl)methyl]-1-pyridin-3-yl-N-(thiophen-3-ylmethyl)methanamine.
What is the SMILES notation for N-[(2-methyl-1H-imidazol-5-yl)methyl]-1-pyridin-3-yl-N-(thiophen-3-ylmethyl)methanamine?
The canonical SMILES for N-[(2-methyl-1H-imidazol-5-yl)methyl]-1-pyridin-3-yl-N-(thiophen-3-ylmethyl)methanamine is Cc1ncc(CN(Cc2cccnc2)Cc2ccsc2)[nH]1.
What is the InChIKey of N-[(2-methyl-1H-imidazol-5-yl)methyl]-1-pyridin-3-yl-N-(thiophen-3-ylmethyl)methanamine?
The InChIKey is UUKYJZZBFXXRNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4S/c1-13-18-8-16(19-13)11-20(10-15-4-6-21-12-15)9-14-3-2-5-17-7-14/h2-8,12H,9-11H2,1H3,(H,18,19).
What are the key properties of N-[(2-methyl-1H-imidazol-5-yl)methyl]-1-pyridin-3-yl-N-(thiophen-3-ylmethyl)methanamine?
N-[(2-methyl-1H-imidazol-5-yl)methyl]-1-pyridin-3-yl-N-(thiophen-3-ylmethyl)methanamine has a molecular weight of 298.42 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-1H-imidazol-5-yl)methyl]-1-pyridin-3-yl-N-(thiophen-3-ylmethyl)methanamine is sourced from PubChem (CID 46995027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).