2-(2-methylidenebut-3-enyl)-1H-benzimidazole

C12H12N2 — CID 163413437

IUPAC2-(2-methylidenebut-3-enyl)-1H-benzimidazole
SMILESC=CC(=C)Cc1nc2ccccc2[nH]1
InChIInChI=1S/C12H12N2/c1-3-9(2)8-12-13-10-6-4-5-7-11(10)14-12/h3-7H,1-2,8H2,(H,13,14)
InChIKeyACKFJCVTMJAWMC-UHFFFAOYSA-N
MW184.24 g/mol
LogP2.85
Rot. Bonds3

About 2-(2-methylidenebut-3-enyl)-1H-benzimidazole

2-(2-methylidenebut-3-enyl)-1H-benzimidazole (PubChem CID 163413437) has the molecular formula C12H12N2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 2-(2-methylidenebut-3-enyl)-1H-benzimidazole.

Molecular Properties

Compound Name2-(2-methylidenebut-3-enyl)-1H-benzimidazole
PubChem CID163413437
Molecular FormulaC12H12N2
Molecular Weight184.24 g/mol
Exact Mass184.10
IUPAC Name2-(2-methylidenebut-3-enyl)-1H-benzimidazole
SMILESC=CC(=C)Cc1nc2ccccc2[nH]1
InChIInChI=1S/C12H12N2/c1-3-9(2)8-12-13-10-6-4-5-7-11(10)14-12/h3-7H,1-2,8H2,(H,13,14)
InChIKeyACKFJCVTMJAWMC-UHFFFAOYSA-N
XLogP2.85
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(1H-benzimidazol-2-yl)acetate
CID 6955878
CID 87640795
CID 87640795
(NZ)-N-[2-(1H-benzimidazol-2-yl)-1-phenylethylidene]hydroxylamine
CID 25344926
CID 58296357
CID 58296357
2-[7-(1H-benzimidazol-2-yl)heptyl]-1H-benzimidazole dichloride
CID 21205310
1H-benzimidazol-2-ylmethanamine;hydrate
CID 23192500
bis(2-ethyl-1H-benzimidazole);sulfane
CID 68768079
2-(1H-benzimidazol-2-yl)-N'-ethylethanimidamide
CID 63640669
3-(1H-benzimidazol-2-yl)propyl-trihydroxysilane
CID 70659054
2-(1H-benzimidazol-2-yl)ethyl-trihydroxyphosphanium
CID 70879958
[[2-(1H-benzimidazol-2-yl)acetyl]amino]methylphosphonic acid
CID 139908110
2-(1H-benzimidazol-2-yl)acetonitrile
CID 53446454

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylidenebut-3-enyl)-1H-benzimidazole?
The IUPAC name of 2-(2-methylidenebut-3-enyl)-1H-benzimidazole (CID 163413437) is 2-(2-methylidenebut-3-enyl)-1H-benzimidazole.
What is the SMILES notation for 2-(2-methylidenebut-3-enyl)-1H-benzimidazole?
The canonical SMILES for 2-(2-methylidenebut-3-enyl)-1H-benzimidazole is C=CC(=C)Cc1nc2ccccc2[nH]1.
What is the InChIKey of 2-(2-methylidenebut-3-enyl)-1H-benzimidazole?
The InChIKey is ACKFJCVTMJAWMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2/c1-3-9(2)8-12-13-10-6-4-5-7-11(10)14-12/h3-7H,1-2,8H2,(H,13,14).
What are the key properties of 2-(2-methylidenebut-3-enyl)-1H-benzimidazole?
2-(2-methylidenebut-3-enyl)-1H-benzimidazole has a molecular weight of 184.24 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylidenebut-3-enyl)-1H-benzimidazole is sourced from PubChem (CID 163413437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).