N-[1-[4-(benzimidazol-1-yl)phenyl]ethyl]-N-methylpyrimidin-2-amine

C20H19N5 — CID 55570520

IUPACN-[1-[4-(benzimidazol-1-yl)phenyl]ethyl]-N-methylpyrimidin-2-amine
SMILESCC(c1ccc(-n2cnc3ccccc32)cc1)N(C)c1ncccn1
InChIInChI=1S/C20H19N5/c1-15(24(2)20-21-12-5-13-22-20)16-8-10-17(11-9-16)25-14-23-18-6-3-4-7-19(18)25/h3-15H,1-2H3
InChIKeyFIVIIHAJFLJAII-UHFFFAOYSA-N
MW329.41 g/mol
LogP4.01
Rot. Bonds4

About N-[1-[4-(benzimidazol-1-yl)phenyl]ethyl]-N-methylpyrimidin-2-amine

N-[1-[4-(benzimidazol-1-yl)phenyl]ethyl]-N-methylpyrimidin-2-amine (PubChem CID 55570520) has the molecular formula C20H19N5 and a molecular weight of 329.41 g/mol. Its IUPAC name is N-[1-[4-(benzimidazol-1-yl)phenyl]ethyl]-N-methylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[1-[4-(benzimidazol-1-yl)phenyl]ethyl]-N-methylpyrimidin-2-amine
PubChem CID55570520
Molecular FormulaC20H19N5
Molecular Weight329.41 g/mol
Exact Mass329.16
IUPAC NameN-[1-[4-(benzimidazol-1-yl)phenyl]ethyl]-N-methylpyrimidin-2-amine
SMILESCC(c1ccc(-n2cnc3ccccc32)cc1)N(C)c1ncccn1
InChIInChI=1S/C20H19N5/c1-15(24(2)20-21-12-5-13-22-20)16-8-10-17(11-9-16)25-14-23-18-6-3-4-7-19(18)25/h3-15H,1-2H3
InChIKeyFIVIIHAJFLJAII-UHFFFAOYSA-N
XLogP4.01
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.41
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(1S)-1-[4-(benzimidazol-1-yl)phenyl]ethanamine
CID 25324450
N-[(1R)-1-[4-(benzimidazol-1-yl)phenyl]ethyl]-2-fluoro-N-methylbenzamide
CID 42263428
(1R)-1-[4-(benzimidazol-1-yl)phenyl]-N-methylethanamine
CID 25323496
N-[1-[4-(benzimidazol-1-yl)phenyl]ethyl]-N-methyl-4-pyrazol-1-ylpyridine-2-carboxamide
CID 86975244
1-[1-[4-(benzimidazol-1-yl)phenyl]ethyl]-3-(2-methoxyphenyl)-1-methylurea
CID 24612469
N-[1-[4-(benzimidazol-1-yl)phenyl]ethyl]-N-methyl-4-(1,2,4-triazol-1-yl)benzamide
CID 86916477
N-[1-[4-(benzimidazol-1-yl)phenyl]ethyl]-N-methyl-4-(methylsulfonylmethyl)benzamide
CID 86916473
(1R)-1-[4-(benzimidazol-1-yl)phenyl]-N-[[2-[(1R)-1-methoxyethyl]-1,3-thiazol-4-yl]methyl]-N-methylethanamine
CID 97254290
1-[1-[4-(benzimidazol-1-yl)phenyl]ethyl-methylamino]-3-naphthalen-2-ylpropan-2-ol
CID 166379670
1-[4-(benzimidazol-1-yl)phenyl]propan-2-amine
CID 55237590
(2S)-2-amino-2-[4-(benzimidazol-1-yl)phenyl]acetic acid
CID 66513444
N-[1-[4-(benzimidazol-1-yl)phenyl]ethyl]-N-methyl-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide
CID 86887747

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(benzimidazol-1-yl)phenyl]ethyl]-N-methylpyrimidin-2-amine?
The IUPAC name of N-[1-[4-(benzimidazol-1-yl)phenyl]ethyl]-N-methylpyrimidin-2-amine (CID 55570520) is N-[1-[4-(benzimidazol-1-yl)phenyl]ethyl]-N-methylpyrimidin-2-amine.
What is the SMILES notation for N-[1-[4-(benzimidazol-1-yl)phenyl]ethyl]-N-methylpyrimidin-2-amine?
The canonical SMILES for N-[1-[4-(benzimidazol-1-yl)phenyl]ethyl]-N-methylpyrimidin-2-amine is CC(c1ccc(-n2cnc3ccccc32)cc1)N(C)c1ncccn1.
What is the InChIKey of N-[1-[4-(benzimidazol-1-yl)phenyl]ethyl]-N-methylpyrimidin-2-amine?
The InChIKey is FIVIIHAJFLJAII-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5/c1-15(24(2)20-21-12-5-13-22-20)16-8-10-17(11-9-16)25-14-23-18-6-3-4-7-19(18)25/h3-15H,1-2H3.
What are the key properties of N-[1-[4-(benzimidazol-1-yl)phenyl]ethyl]-N-methylpyrimidin-2-amine?
N-[1-[4-(benzimidazol-1-yl)phenyl]ethyl]-N-methylpyrimidin-2-amine has a molecular weight of 329.41 g/mol, XLogP of 4.01, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(benzimidazol-1-yl)phenyl]ethyl]-N-methylpyrimidin-2-amine is sourced from PubChem (CID 55570520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).