N-[(E)-1-(1H-pyrrol-2-yl)ethylideneamino]-1H-benzimidazol-2-amine

C13H13N5 — CID 135558240

IUPACN-[(E)-1-(1H-pyrrol-2-yl)ethylideneamino]-1H-benzimidazol-2-amine
SMILESC/C(=N\Nc1nc2ccccc2[nH]1)c1ccc[nH]1
InChIInChI=1S/C13H13N5/c1-9(10-7-4-8-14-10)17-18-13-15-11-5-2-3-6-12(11)16-13/h2-8,14H,1H3,(H2,15,16,18)/b17-9+
InChIKeyDZHQSEYRLKRUAD-RQZCQDPDSA-N
MW239.28 g/mol
LogP2.73
Rot. Bonds3

About N-[(E)-1-(1H-pyrrol-2-yl)ethylideneamino]-1H-benzimidazol-2-amine

N-[(E)-1-(1H-pyrrol-2-yl)ethylideneamino]-1H-benzimidazol-2-amine (PubChem CID 135558240) has the molecular formula C13H13N5 and a molecular weight of 239.28 g/mol. Its IUPAC name is N-[(E)-1-(1H-pyrrol-2-yl)ethylideneamino]-1H-benzimidazol-2-amine.

Molecular Properties

Compound NameN-[(E)-1-(1H-pyrrol-2-yl)ethylideneamino]-1H-benzimidazol-2-amine
PubChem CID135558240
Molecular FormulaC13H13N5
Molecular Weight239.28 g/mol
Exact Mass239.12
IUPAC NameN-[(E)-1-(1H-pyrrol-2-yl)ethylideneamino]-1H-benzimidazol-2-amine
SMILESC/C(=N\Nc1nc2ccccc2[nH]1)c1ccc[nH]1
InChIInChI=1S/C13H13N5/c1-9(10-7-4-8-14-10)17-18-13-15-11-5-2-3-6-12(11)16-13/h2-8,14H,1H3,(H2,15,16,18)/b17-9+
InChIKeyDZHQSEYRLKRUAD-RQZCQDPDSA-N
XLogP2.73
TPSA68.86 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.73
H-Bond Donors ≤ 53
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-[1-(2,6-difluorophenyl)ethylideneamino]-1H-benzimidazol-2-amine
CID 3966393
N-[(Z)-3,3-dimethylbutan-2-ylideneamino]-1H-benzimidazol-2-amine
CID 5396624
N-[(Z)-1-(3-chlorophenyl)ethylideneamino]-1H-benzimidazol-2-amine
CID 6085973
N-[(Z)-1-pyrimidin-4-ylethylideneamino]-1H-benzimidazol-2-amine
CID 5470579
N-[(Z)-1-(2,4-dimethoxyphenyl)ethylideneamino]-1H-benzimidazol-2-amine
CID 7912538
N-(2-methylprop-2-enylideneamino)-1H-benzimidazol-2-amine
CID 131854072
N-[1-[1-(difluoromethoxy)naphthalen-2-yl]ethylideneamino]-1H-benzimidazol-2-amine
CID 4051864
N-[3-[(E)-N-(1H-benzimidazol-2-ylamino)-C-methylcarbonimidoyl]-4-hydroxyphenyl]butanamide
CID 135730875
N'-(1H-benzimidazol-2-yl)acetohydrazide
CID 14088792
N-[1-(4-methoxyphenyl)propan-2-ylideneamino]-1H-benzimidazol-2-amine;oxalic acid
CID 73242970
(2Z)-2-(1H-benzimidazol-2-ylhydrazinylidene)-2-(furan-2-yl)acetic acid
CID 10778432
N-tert-butyl-1H-benzimidazol-2-amine
CID 54040021

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(1H-pyrrol-2-yl)ethylideneamino]-1H-benzimidazol-2-amine?
The IUPAC name of N-[(E)-1-(1H-pyrrol-2-yl)ethylideneamino]-1H-benzimidazol-2-amine (CID 135558240) is N-[(E)-1-(1H-pyrrol-2-yl)ethylideneamino]-1H-benzimidazol-2-amine.
What is the SMILES notation for N-[(E)-1-(1H-pyrrol-2-yl)ethylideneamino]-1H-benzimidazol-2-amine?
The canonical SMILES for N-[(E)-1-(1H-pyrrol-2-yl)ethylideneamino]-1H-benzimidazol-2-amine is C/C(=N\Nc1nc2ccccc2[nH]1)c1ccc[nH]1.
What is the InChIKey of N-[(E)-1-(1H-pyrrol-2-yl)ethylideneamino]-1H-benzimidazol-2-amine?
The InChIKey is DZHQSEYRLKRUAD-RQZCQDPDSA-N. The full InChI is InChI=1S/C13H13N5/c1-9(10-7-4-8-14-10)17-18-13-15-11-5-2-3-6-12(11)16-13/h2-8,14H,1H3,(H2,15,16,18)/b17-9+.
What are the key properties of N-[(E)-1-(1H-pyrrol-2-yl)ethylideneamino]-1H-benzimidazol-2-amine?
N-[(E)-1-(1H-pyrrol-2-yl)ethylideneamino]-1H-benzimidazol-2-amine has a molecular weight of 239.28 g/mol, XLogP of 2.73, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(1H-pyrrol-2-yl)ethylideneamino]-1H-benzimidazol-2-amine is sourced from PubChem (CID 135558240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).