N-[(2-methyl-3-phenylimidazol-4-yl)methyl]-1-pyridin-3-ylmethanamine

C17H18N4 — CID 79036219

IUPACN-[(2-methyl-3-phenylimidazol-4-yl)methyl]-1-pyridin-3-ylmethanamine
SMILESCc1ncc(CNCc2cccnc2)n1-c1ccccc1
InChIInChI=1S/C17H18N4/c1-14-20-13-17(21(14)16-7-3-2-4-8-16)12-19-11-15-6-5-9-18-10-15/h2-10,13,19H,11-12H2,1H3
InChIKeyNSFCPPYCSRIUJF-UHFFFAOYSA-N
MW278.36 g/mol
LogP2.87
Rot. Bonds5

About N-[(2-methyl-3-phenylimidazol-4-yl)methyl]-1-pyridin-3-ylmethanamine

N-[(2-methyl-3-phenylimidazol-4-yl)methyl]-1-pyridin-3-ylmethanamine (PubChem CID 79036219) has the molecular formula C17H18N4 and a molecular weight of 278.36 g/mol. Its IUPAC name is N-[(2-methyl-3-phenylimidazol-4-yl)methyl]-1-pyridin-3-ylmethanamine.

Molecular Properties

Compound NameN-[(2-methyl-3-phenylimidazol-4-yl)methyl]-1-pyridin-3-ylmethanamine
PubChem CID79036219
Molecular FormulaC17H18N4
Molecular Weight278.36 g/mol
Exact Mass278.15
IUPAC NameN-[(2-methyl-3-phenylimidazol-4-yl)methyl]-1-pyridin-3-ylmethanamine
SMILESCc1ncc(CNCc2cccnc2)n1-c1ccccc1
InChIInChI=1S/C17H18N4/c1-14-20-13-17(21(14)16-7-3-2-4-8-16)12-19-11-15-6-5-9-18-10-15/h2-10,13,19H,11-12H2,1H3
InChIKeyNSFCPPYCSRIUJF-UHFFFAOYSA-N
XLogP2.87
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-imidazol-1-yl-4-pyridinyl)-N-[(2-methyl-3-phenylimidazol-4-yl)methyl]methanamine
CID 71859490
N-[(2-methyl-3-phenylimidazol-4-yl)methyl]prop-2-en-1-amine
CID 79179946
1-(2-methyl-3-phenylimidazol-4-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine
CID 106392406
5-[(2-methyl-3-phenylimidazol-4-yl)methylamino]pentan-1-ol
CID 107302931
1-phenyl-N-(pyridin-3-ylmethyl)methanamine;N-(pyridin-3-ylmethyl)ethanamine
CID 174270590
2-methyl-N-[(2-methyl-3-phenylimidazol-4-yl)methyl]aniline
CID 79179309
4-methyl-1-[(2-methyl-3-phenylimidazol-4-yl)methylamino]pentan-3-ol
CID 111969454
N-[(2-methylpyrazol-3-yl)methyl]-1-pyridin-3-ylmethanamine
CID 19626584
N-[(2-methyl-3-phenylimidazol-4-yl)methyl]-3-propan-2-yloxypropan-1-amine
CID 79178221
(1S)-2-[(2-methyl-3-phenylimidazol-4-yl)methylamino]-1-thiophen-2-ylethanol
CID 97002395
N-[(3-propan-2-ylimidazol-4-yl)methyl]-1-pyridin-3-ylmethanamine
CID 66131281
1-pyridin-4-yl-N-(pyridin-3-ylmethyl)methanamine;dihydrochloride
CID 163329891

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-3-phenylimidazol-4-yl)methyl]-1-pyridin-3-ylmethanamine?
The IUPAC name of N-[(2-methyl-3-phenylimidazol-4-yl)methyl]-1-pyridin-3-ylmethanamine (CID 79036219) is N-[(2-methyl-3-phenylimidazol-4-yl)methyl]-1-pyridin-3-ylmethanamine.
What is the SMILES notation for N-[(2-methyl-3-phenylimidazol-4-yl)methyl]-1-pyridin-3-ylmethanamine?
The canonical SMILES for N-[(2-methyl-3-phenylimidazol-4-yl)methyl]-1-pyridin-3-ylmethanamine is Cc1ncc(CNCc2cccnc2)n1-c1ccccc1.
What is the InChIKey of N-[(2-methyl-3-phenylimidazol-4-yl)methyl]-1-pyridin-3-ylmethanamine?
The InChIKey is NSFCPPYCSRIUJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4/c1-14-20-13-17(21(14)16-7-3-2-4-8-16)12-19-11-15-6-5-9-18-10-15/h2-10,13,19H,11-12H2,1H3.
What are the key properties of N-[(2-methyl-3-phenylimidazol-4-yl)methyl]-1-pyridin-3-ylmethanamine?
N-[(2-methyl-3-phenylimidazol-4-yl)methyl]-1-pyridin-3-ylmethanamine has a molecular weight of 278.36 g/mol, XLogP of 2.87, 5 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]-1-pyridin-3-ylmethanamine is sourced from PubChem (CID 79036219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).