4-methyl-1-[(1-methylbenzimidazol-5-yl)methylideneamino]imidazol-2-amine

C13H14N6 — CID 168629654

IUPAC4-methyl-1-[(1-methylbenzimidazol-5-yl)methylideneamino]imidazol-2-amine
SMILESCc1cn(N=Cc2ccc3c(c2)ncn3C)c(N)n1
InChIInChI=1S/C13H14N6/c1-9-7-19(13(14)17-9)16-6-10-3-4-12-11(5-10)15-8-18(12)2/h3-8H,1-2H3,(H2,14,17)
InChIKeyFNPVIWBIQSDPEA-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.54
Rot. Bonds2

About 4-methyl-1-[(1-methylbenzimidazol-5-yl)methylideneamino]imidazol-2-amine

4-methyl-1-[(1-methylbenzimidazol-5-yl)methylideneamino]imidazol-2-amine (PubChem CID 168629654) has the molecular formula C13H14N6 and a molecular weight of 254.30 g/mol. Its IUPAC name is 4-methyl-1-[(1-methylbenzimidazol-5-yl)methylideneamino]imidazol-2-amine.

Molecular Properties

Compound Name4-methyl-1-[(1-methylbenzimidazol-5-yl)methylideneamino]imidazol-2-amine
PubChem CID168629654
Molecular FormulaC13H14N6
Molecular Weight254.30 g/mol
Exact Mass254.13
IUPAC Name4-methyl-1-[(1-methylbenzimidazol-5-yl)methylideneamino]imidazol-2-amine
SMILESCc1cn(N=Cc2ccc3c(c2)ncn3C)c(N)n1
InChIInChI=1S/C13H14N6/c1-9-7-19(13(14)17-9)16-6-10-3-4-12-11(5-10)15-8-18(12)2/h3-8H,1-2H3,(H2,14,17)
InChIKeyFNPVIWBIQSDPEA-UHFFFAOYSA-N
XLogP1.54
TPSA74.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-methyl-1-[(3-methylbenzimidazol-5-yl)methylideneamino]imidazol-2-amine
CID 168629653
4-methyl-1-[(2-methylindazol-6-yl)methylideneamino]imidazol-2-amine
CID 168630728
1-[(3-bromo-4-methylphenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168628600
1-[(4-chloroquinazolin-6-yl)methylideneamino]-4-methylimidazol-2-amine
CID 168631298
4-methyl-1-[(2-phenylquinolin-7-yl)methylideneamino]imidazol-2-amine
CID 168629687
1-[(6-methoxynaphthalen-2-yl)methylideneamino]-4-methylimidazol-2-amine
CID 168628492
1-[(4-chloro-3-methoxyphenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168628669
6-[(2-amino-4-methylimidazol-1-yl)iminomethyl]isoindol-1-one
CID 168629695
1-[(4-iodo-3-methoxyphenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168631305
1-[[4-bromo-3-(trifluoromethoxy)phenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168631150
[4-[(2-amino-4-methylimidazol-1-yl)iminomethyl]phenyl]-trifluoroboranuide
CID 168628704
1-[[3-ethoxy-4-(2-imidazol-1-ylethoxy)phenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168630138

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[(1-methylbenzimidazol-5-yl)methylideneamino]imidazol-2-amine?
The IUPAC name of 4-methyl-1-[(1-methylbenzimidazol-5-yl)methylideneamino]imidazol-2-amine (CID 168629654) is 4-methyl-1-[(1-methylbenzimidazol-5-yl)methylideneamino]imidazol-2-amine.
What is the SMILES notation for 4-methyl-1-[(1-methylbenzimidazol-5-yl)methylideneamino]imidazol-2-amine?
The canonical SMILES for 4-methyl-1-[(1-methylbenzimidazol-5-yl)methylideneamino]imidazol-2-amine is Cc1cn(N=Cc2ccc3c(c2)ncn3C)c(N)n1.
What is the InChIKey of 4-methyl-1-[(1-methylbenzimidazol-5-yl)methylideneamino]imidazol-2-amine?
The InChIKey is FNPVIWBIQSDPEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6/c1-9-7-19(13(14)17-9)16-6-10-3-4-12-11(5-10)15-8-18(12)2/h3-8H,1-2H3,(H2,14,17).
What are the key properties of 4-methyl-1-[(1-methylbenzimidazol-5-yl)methylideneamino]imidazol-2-amine?
4-methyl-1-[(1-methylbenzimidazol-5-yl)methylideneamino]imidazol-2-amine has a molecular weight of 254.30 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[(1-methylbenzimidazol-5-yl)methylideneamino]imidazol-2-amine is sourced from PubChem (CID 168629654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).