1-[4-(4-ethylanilino)-1,3,5-triazin-2-yl]benzimidazol-2-amine

C18H17N7 — CID 23535674

IUPAC1-[4-(4-ethylanilino)-1,3,5-triazin-2-yl]benzimidazol-2-amine
SMILESCCc1ccc(Nc2ncnc(-n3c(N)nc4ccccc43)n2)cc1
InChIInChI=1S/C18H17N7/c1-2-12-7-9-13(10-8-12)22-17-20-11-21-18(24-17)25-15-6-4-3-5-14(15)23-16(25)19/h3-11H,2H2,1H3,(H2,19,23)(H,20,21,22,24)
InChIKeyXIMXAVLOHPMWCF-UHFFFAOYSA-N
MW331.38 g/mol
LogP3.10
Rot. Bonds4

About 1-[4-(4-ethylanilino)-1,3,5-triazin-2-yl]benzimidazol-2-amine

1-[4-(4-ethylanilino)-1,3,5-triazin-2-yl]benzimidazol-2-amine (PubChem CID 23535674) has the molecular formula C18H17N7 and a molecular weight of 331.38 g/mol. Its IUPAC name is 1-[4-(4-ethylanilino)-1,3,5-triazin-2-yl]benzimidazol-2-amine.

Molecular Properties

Compound Name1-[4-(4-ethylanilino)-1,3,5-triazin-2-yl]benzimidazol-2-amine
PubChem CID23535674
Molecular FormulaC18H17N7
Molecular Weight331.38 g/mol
Exact Mass331.15
IUPAC Name1-[4-(4-ethylanilino)-1,3,5-triazin-2-yl]benzimidazol-2-amine
SMILESCCc1ccc(Nc2ncnc(-n3c(N)nc4ccccc43)n2)cc1
InChIInChI=1S/C18H17N7/c1-2-12-7-9-13(10-8-12)22-17-20-11-21-18(24-17)25-15-6-4-3-5-14(15)23-16(25)19/h3-11H,2H2,1H3,(H2,19,23)(H,20,21,22,24)
InChIKeyXIMXAVLOHPMWCF-UHFFFAOYSA-N
XLogP3.10
TPSA94.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[4-(4-ethylanilino)-1,3,5-triazin-2-yl]benzimidazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[[4-(2-aminobenzimidazol-1-yl)-1,3,5-triazin-2-yl]amino]-2-methoxyphenol
CID 23536130
1-[4-(pyridin-2-ylamino)-1,3,5-triazin-2-yl]benzimidazol-2-amine
CID 23535624
N-(4-methylphenyl)-1-[4-(3,4,5-trimethoxyanilino)-1,3,5-triazin-2-yl]benzimidazol-2-amine
CID 23536773
2-[3-[[4-(2-chlorobenzimidazol-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide
CID 22496137
5-[[4-[2-[(4-chlorophenyl)methylamino]benzimidazol-1-yl]-1,3,5-triazin-2-yl]amino]-2-methoxybenzene-1,3-diol
CID 142056761
4-[[[1-[4-(3,4,5-trimethoxyanilino)-1,3,5-triazin-2-yl]benzimidazol-2-yl]amino]methyl]benzenesulfonamide
CID 23535894
4-N-(1,3-benzothiazol-2-yl)-6-N-(4-ethylphenyl)pyrimidine-4,5,6-triamine
CID 22544317
3-[[4-[2-[(4-methoxyphenyl)methylamino]benzimidazol-1-yl]-1,3,5-triazin-2-yl]amino]benzoic acid
CID 23535805
1-(4-ethoxyphenyl)benzimidazol-2-amine
CID 43148828
N-prop-2-enyl-1-[4-(3,4,5-trimethoxyanilino)-1,3,5-triazin-2-yl]benzimidazol-2-amine
CID 23536696
N-(3-fluorophenyl)-1-[4-(3,4,5-trimethoxyanilino)-1,3,5-triazin-2-yl]benzimidazol-2-amine
CID 23536518
6-(2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
CID 77050703

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-ethylanilino)-1,3,5-triazin-2-yl]benzimidazol-2-amine?
The IUPAC name of 1-[4-(4-ethylanilino)-1,3,5-triazin-2-yl]benzimidazol-2-amine (CID 23535674) is 1-[4-(4-ethylanilino)-1,3,5-triazin-2-yl]benzimidazol-2-amine.
What is the SMILES notation for 1-[4-(4-ethylanilino)-1,3,5-triazin-2-yl]benzimidazol-2-amine?
The canonical SMILES for 1-[4-(4-ethylanilino)-1,3,5-triazin-2-yl]benzimidazol-2-amine is CCc1ccc(Nc2ncnc(-n3c(N)nc4ccccc43)n2)cc1.
What is the InChIKey of 1-[4-(4-ethylanilino)-1,3,5-triazin-2-yl]benzimidazol-2-amine?
The InChIKey is XIMXAVLOHPMWCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N7/c1-2-12-7-9-13(10-8-12)22-17-20-11-21-18(24-17)25-15-6-4-3-5-14(15)23-16(25)19/h3-11H,2H2,1H3,(H2,19,23)(H,20,21,22,24).
What are the key properties of 1-[4-(4-ethylanilino)-1,3,5-triazin-2-yl]benzimidazol-2-amine?
1-[4-(4-ethylanilino)-1,3,5-triazin-2-yl]benzimidazol-2-amine has a molecular weight of 331.38 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-ethylanilino)-1,3,5-triazin-2-yl]benzimidazol-2-amine is sourced from PubChem (CID 23535674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).