(Z)-1-(1-phenylbenzimidazol-2-yl)but-1-en-1-amine

C17H17N3 — CID 142296211

IUPAC(Z)-1-(1-phenylbenzimidazol-2-yl)but-1-en-1-amine
SMILESCC/C=C(\N)c1nc2ccccc2n1-c1ccccc1
InChIInChI=1S/C17H17N3/c1-2-8-14(18)17-19-15-11-6-7-12-16(15)20(17)13-9-4-3-5-10-13/h3-12H,2,18H2,1H3/b14-8-
InChIKeyRHJIBGKFFUFPOM-ZSOIEALJSA-N
MW263.34 g/mol
LogP3.74
Rot. Bonds3

About (Z)-1-(1-phenylbenzimidazol-2-yl)but-1-en-1-amine

(Z)-1-(1-phenylbenzimidazol-2-yl)but-1-en-1-amine (PubChem CID 142296211) has the molecular formula C17H17N3 and a molecular weight of 263.34 g/mol. Its IUPAC name is (Z)-1-(1-phenylbenzimidazol-2-yl)but-1-en-1-amine.

Molecular Properties

Compound Name(Z)-1-(1-phenylbenzimidazol-2-yl)but-1-en-1-amine
PubChem CID142296211
Molecular FormulaC17H17N3
Molecular Weight263.34 g/mol
Exact Mass263.14
IUPAC Name(Z)-1-(1-phenylbenzimidazol-2-yl)but-1-en-1-amine
SMILESCC/C=C(\N)c1nc2ccccc2n1-c1ccccc1
InChIInChI=1S/C17H17N3/c1-2-8-14(18)17-19-15-11-6-7-12-16(15)20(17)13-9-4-3-5-10-13/h3-12H,2,18H2,1H3/b14-8-
InChIKeyRHJIBGKFFUFPOM-ZSOIEALJSA-N
XLogP3.74
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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2-(chloromethyl)-1-phenylbenzimidazole;hydrochloride
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methyl 1-(4-ethylphenyl)benzimidazole-2-carboxylate
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1,2-diphenylbenzimidazole;ethane;iridium;propane
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2-methyl-1-(1-phenylbenzimidazol-2-yl)butan-1-amine
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CID 147266428
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Frequently Asked Questions

What is the IUPAC name of (Z)-1-(1-phenylbenzimidazol-2-yl)but-1-en-1-amine?
The IUPAC name of (Z)-1-(1-phenylbenzimidazol-2-yl)but-1-en-1-amine (CID 142296211) is (Z)-1-(1-phenylbenzimidazol-2-yl)but-1-en-1-amine.
What is the SMILES notation for (Z)-1-(1-phenylbenzimidazol-2-yl)but-1-en-1-amine?
The canonical SMILES for (Z)-1-(1-phenylbenzimidazol-2-yl)but-1-en-1-amine is CC/C=C(\N)c1nc2ccccc2n1-c1ccccc1.
What is the InChIKey of (Z)-1-(1-phenylbenzimidazol-2-yl)but-1-en-1-amine?
The InChIKey is RHJIBGKFFUFPOM-ZSOIEALJSA-N. The full InChI is InChI=1S/C17H17N3/c1-2-8-14(18)17-19-15-11-6-7-12-16(15)20(17)13-9-4-3-5-10-13/h3-12H,2,18H2,1H3/b14-8-.
What are the key properties of (Z)-1-(1-phenylbenzimidazol-2-yl)but-1-en-1-amine?
(Z)-1-(1-phenylbenzimidazol-2-yl)but-1-en-1-amine has a molecular weight of 263.34 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(1-phenylbenzimidazol-2-yl)but-1-en-1-amine is sourced from PubChem (CID 142296211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).