N-[(Z)-3,3-dimethylbutan-2-ylideneamino]-1H-benzimidazol-2-amine

C13H18N4 — CID 5396624

IUPACN-[(Z)-3,3-dimethylbutan-2-ylideneamino]-1H-benzimidazol-2-amine
SMILESC/C(=N/Nc1nc2ccccc2[nH]1)C(C)(C)C
InChIInChI=1S/C13H18N4/c1-9(13(2,3)4)16-17-12-14-10-7-5-6-8-11(10)15-12/h5-8H,1-4H3,(H2,14,15,17)/b16-9-
InChIKeyVARAXLWGKKJTJS-SXGWCWSVSA-N
MW230.31 g/mol
LogP3.40
Rot. Bonds2

About N-[(Z)-3,3-dimethylbutan-2-ylideneamino]-1H-benzimidazol-2-amine

N-[(Z)-3,3-dimethylbutan-2-ylideneamino]-1H-benzimidazol-2-amine (PubChem CID 5396624) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is N-[(Z)-3,3-dimethylbutan-2-ylideneamino]-1H-benzimidazol-2-amine.

Molecular Properties

Compound NameN-[(Z)-3,3-dimethylbutan-2-ylideneamino]-1H-benzimidazol-2-amine
PubChem CID5396624
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC NameN-[(Z)-3,3-dimethylbutan-2-ylideneamino]-1H-benzimidazol-2-amine
SMILESC/C(=N/Nc1nc2ccccc2[nH]1)C(C)(C)C
InChIInChI=1S/C13H18N4/c1-9(13(2,3)4)16-17-12-14-10-7-5-6-8-11(10)15-12/h5-8H,1-4H3,(H2,14,15,17)/b16-9-
InChIKeyVARAXLWGKKJTJS-SXGWCWSVSA-N
XLogP3.40
TPSA53.07 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 53.40
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-[(E)-1-(1H-pyrrol-2-yl)ethylideneamino]-1H-benzimidazol-2-amine
CID 135558240
N-[1-(2,6-difluorophenyl)ethylideneamino]-1H-benzimidazol-2-amine
CID 3966393
1-(1H-benzimidazol-2-ylamino)-3,3-dimethylbutan-2-ol
CID 133410270
N-tert-butyl-1H-benzimidazol-2-amine
CID 54040021
N-(2-methylprop-2-enylideneamino)-1H-benzimidazol-2-amine
CID 131854072
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-[1-[1-(difluoromethoxy)naphthalen-2-yl]ethylideneamino]-1H-benzimidazol-2-amine
CID 4051864
N-[(Z)-1-(2,4-dimethoxyphenyl)ethylideneamino]-1H-benzimidazol-2-amine
CID 7912538
N-[(E)-(4-methylphenyl)methylideneamino]-1H-benzimidazol-2-amine
CID 14088787
N'-(1H-benzimidazol-2-yl)acetohydrazide
CID 14088792
N-[1-(4-methoxyphenyl)propan-2-ylideneamino]-1H-benzimidazol-2-amine;oxalic acid
CID 73242970

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-3,3-dimethylbutan-2-ylideneamino]-1H-benzimidazol-2-amine?
The IUPAC name of N-[(Z)-3,3-dimethylbutan-2-ylideneamino]-1H-benzimidazol-2-amine (CID 5396624) is N-[(Z)-3,3-dimethylbutan-2-ylideneamino]-1H-benzimidazol-2-amine.
What is the SMILES notation for N-[(Z)-3,3-dimethylbutan-2-ylideneamino]-1H-benzimidazol-2-amine?
The canonical SMILES for N-[(Z)-3,3-dimethylbutan-2-ylideneamino]-1H-benzimidazol-2-amine is C/C(=N/Nc1nc2ccccc2[nH]1)C(C)(C)C.
What is the InChIKey of N-[(Z)-3,3-dimethylbutan-2-ylideneamino]-1H-benzimidazol-2-amine?
The InChIKey is VARAXLWGKKJTJS-SXGWCWSVSA-N. The full InChI is InChI=1S/C13H18N4/c1-9(13(2,3)4)16-17-12-14-10-7-5-6-8-11(10)15-12/h5-8H,1-4H3,(H2,14,15,17)/b16-9-.
What are the key properties of N-[(Z)-3,3-dimethylbutan-2-ylideneamino]-1H-benzimidazol-2-amine?
N-[(Z)-3,3-dimethylbutan-2-ylideneamino]-1H-benzimidazol-2-amine has a molecular weight of 230.31 g/mol, XLogP of 3.40, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-3,3-dimethylbutan-2-ylideneamino]-1H-benzimidazol-2-amine is sourced from PubChem (CID 5396624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).