3-[(3Z)-2-methylidenehexa-3,5-dienyl]benzimidazol-5-amine

C14H15N3 — CID 145168585

IUPAC3-[(3Z)-2-methylidenehexa-3,5-dienyl]benzimidazol-5-amine
SMILESC=C/C=C\C(=C)Cn1cnc2ccc(N)cc21
InChIInChI=1S/C14H15N3/c1-3-4-5-11(2)9-17-10-16-13-7-6-12(15)8-14(13)17/h3-8,10H,1-2,9,15H2/b5-4-
InChIKeySMGCQSUKIAKAHG-PLNGDYQASA-N
MW225.29 g/mol
LogP2.92
Rot. Bonds4

About 3-[(3Z)-2-methylidenehexa-3,5-dienyl]benzimidazol-5-amine

3-[(3Z)-2-methylidenehexa-3,5-dienyl]benzimidazol-5-amine (PubChem CID 145168585) has the molecular formula C14H15N3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 3-[(3Z)-2-methylidenehexa-3,5-dienyl]benzimidazol-5-amine.

Molecular Properties

Compound Name3-[(3Z)-2-methylidenehexa-3,5-dienyl]benzimidazol-5-amine
PubChem CID145168585
Molecular FormulaC14H15N3
Molecular Weight225.29 g/mol
Exact Mass225.13
IUPAC Name3-[(3Z)-2-methylidenehexa-3,5-dienyl]benzimidazol-5-amine
SMILESC=C/C=C\C(=C)Cn1cnc2ccc(N)cc21
InChIInChI=1S/C14H15N3/c1-3-4-5-11(2)9-17-10-16-13-7-6-12(15)8-14(13)17/h3-8,10H,1-2,9,15H2/b5-4-
InChIKeySMGCQSUKIAKAHG-PLNGDYQASA-N
XLogP2.92
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

Benzimidazole
CID 5798
Meiqx
CID 62275
2-amino-1-((4-fluorophenyl)methyl)-1H-benzimidazole
CID 3019305
1-ethyl-1H-1,3-benzodiazol-2-amine
CID 595193
2-Amino-1-methylbenzimidazole
CID 74187
4-{Imidazo[1,2-a]pyrimidin-2-yl}aniline
CID 821089
3-(Imidazo(1,2-a)pyrimidin-2-yl)aniline
CID 1477845
1-Benzyl-1H-benzimidazole
CID 563347
1-Phenyl-1H-benzoimidazole
CID 606669
2-Amino-3-Methylimidazo(4,5-f)quinoxaline
CID 105041
5-Amino-2-(trifluoromethyl)benzimidazole
CID 19345
Benzimidazole-2-carboxaldehyde, 1-methyl-, oxime
CID 135531459

Frequently Asked Questions

What is the IUPAC name of 3-[(3Z)-2-methylidenehexa-3,5-dienyl]benzimidazol-5-amine?
The IUPAC name of 3-[(3Z)-2-methylidenehexa-3,5-dienyl]benzimidazol-5-amine (CID 145168585) is 3-[(3Z)-2-methylidenehexa-3,5-dienyl]benzimidazol-5-amine.
What is the SMILES notation for 3-[(3Z)-2-methylidenehexa-3,5-dienyl]benzimidazol-5-amine?
The canonical SMILES for 3-[(3Z)-2-methylidenehexa-3,5-dienyl]benzimidazol-5-amine is C=C/C=C\C(=C)Cn1cnc2ccc(N)cc21.
What is the InChIKey of 3-[(3Z)-2-methylidenehexa-3,5-dienyl]benzimidazol-5-amine?
The InChIKey is SMGCQSUKIAKAHG-PLNGDYQASA-N. The full InChI is InChI=1S/C14H15N3/c1-3-4-5-11(2)9-17-10-16-13-7-6-12(15)8-14(13)17/h3-8,10H,1-2,9,15H2/b5-4-.
What are the key properties of 3-[(3Z)-2-methylidenehexa-3,5-dienyl]benzimidazol-5-amine?
3-[(3Z)-2-methylidenehexa-3,5-dienyl]benzimidazol-5-amine has a molecular weight of 225.29 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3Z)-2-methylidenehexa-3,5-dienyl]benzimidazol-5-amine is sourced from PubChem (CID 145168585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).