4-(1-aminoethenyl)-N-(1H-benzimidazol-2-ylmethyl)aniline

C16H16N4 — CID 59910528

IUPAC4-(1-aminoethenyl)-N-(1H-benzimidazol-2-ylmethyl)aniline
SMILESC=C(N)c1ccc(NCc2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C16H16N4/c1-11(17)12-6-8-13(9-7-12)18-10-16-19-14-4-2-3-5-15(14)20-16/h2-9,18H,1,10,17H2,(H,19,20)
InChIKeyJYDYISULPHJCBD-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.10
Rot. Bonds4

About 4-(1-aminoethenyl)-N-(1H-benzimidazol-2-ylmethyl)aniline

4-(1-aminoethenyl)-N-(1H-benzimidazol-2-ylmethyl)aniline (PubChem CID 59910528) has the molecular formula C16H16N4 and a molecular weight of 264.33 g/mol. Its IUPAC name is 4-(1-aminoethenyl)-N-(1H-benzimidazol-2-ylmethyl)aniline.

Molecular Properties

Compound Name4-(1-aminoethenyl)-N-(1H-benzimidazol-2-ylmethyl)aniline
PubChem CID59910528
Molecular FormulaC16H16N4
Molecular Weight264.33 g/mol
Exact Mass264.14
IUPAC Name4-(1-aminoethenyl)-N-(1H-benzimidazol-2-ylmethyl)aniline
SMILESC=C(N)c1ccc(NCc2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C16H16N4/c1-11(17)12-6-8-13(9-7-12)18-10-16-19-14-4-2-3-5-15(14)20-16/h2-9,18H,1,10,17H2,(H,19,20)
InChIKeyJYDYISULPHJCBD-UHFFFAOYSA-N
XLogP3.10
TPSA66.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(1H-benzimidazol-2-ylmethylcarbamoyl)anilino]propanoic acid
CID 70065972
4-[(6-acetyl-1H-benzimidazol-2-yl)methylamino]benzenecarboximidamide;methanamine
CID 143158639
N-(1H-benzimidazol-2-ylmethyl)pyridin-2-amine
CID 150607804
1-(1H-benzimidazol-2-yl)-N-methylmethanamine;dihydrochloride
CID 13169407
N'-(1H-benzimidazol-2-ylmethyl)ethane-1,2-diamine
CID 15365342
1-amino-3-(1H-benzimidazol-2-ylmethyl)thiourea
CID 13291870
N-(1H-benzimidazol-2-ylmethyl)propan-2-amine;dihydrochloride
CID 56773634
2-(2-methylidenebut-3-enyl)-1H-benzimidazole
CID 163413437
2-N-(1H-benzimidazol-2-ylmethyl)propane-1,2-diamine
CID 103389827
N-(1H-benzimidazol-2-ylmethyl)-1-cyclopropylmethanamine
CID 43655401
2-(1H-benzimidazol-2-ylmethylamino)acetic acid
CID 1081236
1H-benzimidazol-2-ylmethanamine;hydrate
CID 23192500

Frequently Asked Questions

What is the IUPAC name of 4-(1-aminoethenyl)-N-(1H-benzimidazol-2-ylmethyl)aniline?
The IUPAC name of 4-(1-aminoethenyl)-N-(1H-benzimidazol-2-ylmethyl)aniline (CID 59910528) is 4-(1-aminoethenyl)-N-(1H-benzimidazol-2-ylmethyl)aniline.
What is the SMILES notation for 4-(1-aminoethenyl)-N-(1H-benzimidazol-2-ylmethyl)aniline?
The canonical SMILES for 4-(1-aminoethenyl)-N-(1H-benzimidazol-2-ylmethyl)aniline is C=C(N)c1ccc(NCc2nc3ccccc3[nH]2)cc1.
What is the InChIKey of 4-(1-aminoethenyl)-N-(1H-benzimidazol-2-ylmethyl)aniline?
The InChIKey is JYDYISULPHJCBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4/c1-11(17)12-6-8-13(9-7-12)18-10-16-19-14-4-2-3-5-15(14)20-16/h2-9,18H,1,10,17H2,(H,19,20).
What are the key properties of 4-(1-aminoethenyl)-N-(1H-benzimidazol-2-ylmethyl)aniline?
4-(1-aminoethenyl)-N-(1H-benzimidazol-2-ylmethyl)aniline has a molecular weight of 264.33 g/mol, XLogP of 3.10, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminoethenyl)-N-(1H-benzimidazol-2-ylmethyl)aniline is sourced from PubChem (CID 59910528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).