N-[(E)-(4-methylphenyl)methylideneamino]-1H-benzimidazol-2-amine

C15H14N4 — CID 14088787

IUPACN-[(E)-(4-methylphenyl)methylideneamino]-1H-benzimidazol-2-amine
SMILESCc1ccc(/C=N/Nc2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C15H14N4/c1-11-6-8-12(9-7-11)10-16-19-15-17-13-4-2-3-5-14(13)18-15/h2-10H,1H3,(H2,17,18,19)/b16-10+
InChIKeyJTZYFQRPRRURDD-MHWRWJLKSA-N
MW250.31 g/mol
LogP3.32
Rot. Bonds3

About N-[(E)-(4-methylphenyl)methylideneamino]-1H-benzimidazol-2-amine

N-[(E)-(4-methylphenyl)methylideneamino]-1H-benzimidazol-2-amine (PubChem CID 14088787) has the molecular formula C15H14N4 and a molecular weight of 250.31 g/mol. Its IUPAC name is N-[(E)-(4-methylphenyl)methylideneamino]-1H-benzimidazol-2-amine.

Molecular Properties

Compound NameN-[(E)-(4-methylphenyl)methylideneamino]-1H-benzimidazol-2-amine
PubChem CID14088787
Molecular FormulaC15H14N4
Molecular Weight250.31 g/mol
Exact Mass250.12
IUPAC NameN-[(E)-(4-methylphenyl)methylideneamino]-1H-benzimidazol-2-amine
SMILESCc1ccc(/C=N/Nc2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C15H14N4/c1-11-6-8-12(9-7-11)10-16-19-15-17-13-4-2-3-5-14(13)18-15/h2-10H,1H3,(H2,17,18,19)/b16-10+
InChIKeyJTZYFQRPRRURDD-MHWRWJLKSA-N
XLogP3.32
TPSA53.07 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(pyridin-3-ylmethylideneamino)-1H-benzimidazol-2-amine
CID 2852455
N-[(Z)-(4-methyl-3-nitrophenyl)methylideneamino]-1H-benzimidazol-2-amine
CID 6031272
N-[[4-(3-methylbutoxy)phenyl]methylideneamino]-1H-benzimidazol-2-amine
CID 4166648
N-[(Z)-quinolin-6-ylmethylideneamino]-1H-benzimidazol-2-amine
CID 6036074
[2-[(Z)-(1H-benzimidazol-2-ylhydrazinylidene)methyl]phenyl] 4-methylbenzenesulfonate
CID 94844792
ethane;N-(4-methylphenyl)-1H-benzimidazol-2-amine
CID 143181783
N-[(3-phenoxyphenyl)methylideneamino]-1H-benzimidazol-2-amine
CID 4151139
N-[(Z)-(3-chloro-4-ethoxyphenyl)methylideneamino]-1H-benzimidazol-2-amine
CID 110514872
4-[(Z)-(1H-benzimidazol-2-ylhydrazinylidene)methyl]-2-ethoxyphenol
CID 136806309
N-[(Z)-(4-ethoxyphenyl)methylideneamino]-6-methyl-1H-benzimidazol-2-amine
CID 110511818
N-(2-methylprop-2-enylideneamino)-1H-benzimidazol-2-amine
CID 131854072
4-[(1H-benzimidazol-2-ylhydrazinylidene)methyl]benzene-1,3-diol
CID 3134920

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-methylphenyl)methylideneamino]-1H-benzimidazol-2-amine?
The IUPAC name of N-[(E)-(4-methylphenyl)methylideneamino]-1H-benzimidazol-2-amine (CID 14088787) is N-[(E)-(4-methylphenyl)methylideneamino]-1H-benzimidazol-2-amine.
What is the SMILES notation for N-[(E)-(4-methylphenyl)methylideneamino]-1H-benzimidazol-2-amine?
The canonical SMILES for N-[(E)-(4-methylphenyl)methylideneamino]-1H-benzimidazol-2-amine is Cc1ccc(/C=N/Nc2nc3ccccc3[nH]2)cc1.
What is the InChIKey of N-[(E)-(4-methylphenyl)methylideneamino]-1H-benzimidazol-2-amine?
The InChIKey is JTZYFQRPRRURDD-MHWRWJLKSA-N. The full InChI is InChI=1S/C15H14N4/c1-11-6-8-12(9-7-11)10-16-19-15-17-13-4-2-3-5-14(13)18-15/h2-10H,1H3,(H2,17,18,19)/b16-10+.
What are the key properties of N-[(E)-(4-methylphenyl)methylideneamino]-1H-benzimidazol-2-amine?
N-[(E)-(4-methylphenyl)methylideneamino]-1H-benzimidazol-2-amine has a molecular weight of 250.31 g/mol, XLogP of 3.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-methylphenyl)methylideneamino]-1H-benzimidazol-2-amine is sourced from PubChem (CID 14088787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).