N-[(3-benzylimidazol-4-yl)methyl]-N-methyl-1-pyrimidin-4-ylethanamine

C18H21N5 — CID 91830976

IUPACN-[(3-benzylimidazol-4-yl)methyl]-N-methyl-1-pyrimidin-4-ylethanamine
SMILESCC(c1ccncn1)N(C)Cc1cncn1Cc1ccccc1
InChIInChI=1S/C18H21N5/c1-15(18-8-9-19-13-21-18)22(2)12-17-10-20-14-23(17)11-16-6-4-3-5-7-16/h3-10,13-15H,11-12H2,1-2H3
InChIKeyDJAZJQSZZFAOFU-UHFFFAOYSA-N
MW307.40 g/mol
LogP2.91
Rot. Bonds6

About N-[(3-benzylimidazol-4-yl)methyl]-N-methyl-1-pyrimidin-4-ylethanamine

N-[(3-benzylimidazol-4-yl)methyl]-N-methyl-1-pyrimidin-4-ylethanamine (PubChem CID 91830976) has the molecular formula C18H21N5 and a molecular weight of 307.40 g/mol. Its IUPAC name is N-[(3-benzylimidazol-4-yl)methyl]-N-methyl-1-pyrimidin-4-ylethanamine.

Molecular Properties

Compound NameN-[(3-benzylimidazol-4-yl)methyl]-N-methyl-1-pyrimidin-4-ylethanamine
PubChem CID91830976
Molecular FormulaC18H21N5
Molecular Weight307.40 g/mol
Exact Mass307.18
IUPAC NameN-[(3-benzylimidazol-4-yl)methyl]-N-methyl-1-pyrimidin-4-ylethanamine
SMILESCC(c1ccncn1)N(C)Cc1cncn1Cc1ccccc1
InChIInChI=1S/C18H21N5/c1-15(18-8-9-19-13-21-18)22(2)12-17-10-20-14-23(17)11-16-6-4-3-5-7-16/h3-10,13-15H,11-12H2,1-2H3
InChIKeyDJAZJQSZZFAOFU-UHFFFAOYSA-N
XLogP2.91
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(1S)-N-[[3-(1-benzofuran-2-yl)-1-benzylpyrazol-4-yl]methyl]-N-methyl-1-pyrimidin-4-ylethanamine
CID 42095542
N-methyl-3-pyridin-3-yl-N-(1-pyrimidin-4-ylethyl)propan-1-amine
CID 91837702
(1R)-N-methyl-N-[[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methyl]-1-pyrimidin-4-ylethanamine
CID 95868101
N-methyl-N-[[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methyl]-1-pyrimidin-4-ylethanamine
CID 70729446
(E)-N-methyl-3-phenyl-N-[(1S)-1-pyrimidin-4-ylethyl]prop-2-en-1-amine
CID 99950845
N-[[2-(furan-2-yl)phenyl]methyl]-N-methyl-1-pyrimidin-4-ylethanamine
CID 77079818
(1R)-N-methyl-1-pyridin-2-yl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]ethanamine
CID 95120319
(2R)-1-[(3-benzylimidazol-4-yl)methyl-[(3-methylthiophen-2-yl)methyl]amino]propan-2-ol
CID 51493777
1-benzyl-5-butylimidazole
CID 10059100
1-methyl-3-[[methyl-[(1S)-1-pyrimidin-4-ylethyl]amino]methyl]quinolin-2-one
CID 99946876
(1R)-N-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]-1-pyrimidin-4-ylethanamine
CID 124753171
2-(3-benzylimidazol-4-yl)ethanamine
CID 19417806

Frequently Asked Questions

What is the IUPAC name of N-[(3-benzylimidazol-4-yl)methyl]-N-methyl-1-pyrimidin-4-ylethanamine?
The IUPAC name of N-[(3-benzylimidazol-4-yl)methyl]-N-methyl-1-pyrimidin-4-ylethanamine (CID 91830976) is N-[(3-benzylimidazol-4-yl)methyl]-N-methyl-1-pyrimidin-4-ylethanamine.
What is the SMILES notation for N-[(3-benzylimidazol-4-yl)methyl]-N-methyl-1-pyrimidin-4-ylethanamine?
The canonical SMILES for N-[(3-benzylimidazol-4-yl)methyl]-N-methyl-1-pyrimidin-4-ylethanamine is CC(c1ccncn1)N(C)Cc1cncn1Cc1ccccc1.
What is the InChIKey of N-[(3-benzylimidazol-4-yl)methyl]-N-methyl-1-pyrimidin-4-ylethanamine?
The InChIKey is DJAZJQSZZFAOFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5/c1-15(18-8-9-19-13-21-18)22(2)12-17-10-20-14-23(17)11-16-6-4-3-5-7-16/h3-10,13-15H,11-12H2,1-2H3.
What are the key properties of N-[(3-benzylimidazol-4-yl)methyl]-N-methyl-1-pyrimidin-4-ylethanamine?
N-[(3-benzylimidazol-4-yl)methyl]-N-methyl-1-pyrimidin-4-ylethanamine has a molecular weight of 307.40 g/mol, XLogP of 2.91, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-benzylimidazol-4-yl)methyl]-N-methyl-1-pyrimidin-4-ylethanamine is sourced from PubChem (CID 91830976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).