3-butyl-2-cyclopenta-2,4-dien-1-ylidene-1H-benzimidazole

C16H18N2 — CID 134861371

IUPAC3-butyl-2-cyclopenta-2,4-dien-1-ylidene-1H-benzimidazole
SMILESCCCCN1C(=C2C=CC=C2)Nc2ccccc21
InChIInChI=1S/C16H18N2/c1-2-3-12-18-15-11-7-6-10-14(15)17-16(18)13-8-4-5-9-13/h4-11,17H,2-3,12H2,1H3
InChIKeyFAOAFLNPSNUPOQ-UHFFFAOYSA-N
MW238.33 g/mol
LogP4.06
Rot. Bonds3

About 3-butyl-2-cyclopenta-2,4-dien-1-ylidene-1H-benzimidazole

3-butyl-2-cyclopenta-2,4-dien-1-ylidene-1H-benzimidazole (PubChem CID 134861371) has the molecular formula C16H18N2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 3-butyl-2-cyclopenta-2,4-dien-1-ylidene-1H-benzimidazole.

Molecular Properties

Compound Name3-butyl-2-cyclopenta-2,4-dien-1-ylidene-1H-benzimidazole
PubChem CID134861371
Molecular FormulaC16H18N2
Molecular Weight238.33 g/mol
Exact Mass238.15
IUPAC Name3-butyl-2-cyclopenta-2,4-dien-1-ylidene-1H-benzimidazole
SMILESCCCCN1C(=C2C=CC=C2)Nc2ccccc21
InChIInChI=1S/C16H18N2/c1-2-3-12-18-15-11-7-6-10-14(15)17-16(18)13-8-4-5-9-13/h4-11,17H,2-3,12H2,1H3
InChIKeyFAOAFLNPSNUPOQ-UHFFFAOYSA-N
XLogP4.06
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-butyl-2-cyclopenta-2,4-dien-1-ylidene-1H-benzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-pentyl-2,10-dihydro-1H-phenazine
CID 70231574
(3R)-1-butyl-3-methyl-3,4-dihydroquinoxalin-2-one
CID 94764092
5-butyl-3,3-dimethyl-1,2-dihydro-1,5-benzodiazepin-4-one
CID 117015905
CID 177394292
CID 177394292
1-butyl-3-methylidenequinoline-2,4-dione
CID 59034241
1-butyl-4-methyl-3H-quinoxalin-2-one
CID 117006618
ethyl (2Z)-2-(4-decyl-3-oxo-1H-quinoxalin-2-ylidene)acetate
CID 139052119
10-butylphenothiazine;propane
CID 177020956
10-butylphenothiazine;hydrate;tetrahydroiodide
CID 173485866
5-methyl-10-octadecylphenazine
CID 10813380
2-methylidene-1,3-dioctylbenzimidazole
CID 168986251
(2Z)-5-decyl-2-(2-oxopropylidene)-1H-1,5-benzodiazepin-4-one
CID 139048876

Frequently Asked Questions

What is the IUPAC name of 3-butyl-2-cyclopenta-2,4-dien-1-ylidene-1H-benzimidazole?
The IUPAC name of 3-butyl-2-cyclopenta-2,4-dien-1-ylidene-1H-benzimidazole (CID 134861371) is 3-butyl-2-cyclopenta-2,4-dien-1-ylidene-1H-benzimidazole.
What is the SMILES notation for 3-butyl-2-cyclopenta-2,4-dien-1-ylidene-1H-benzimidazole?
The canonical SMILES for 3-butyl-2-cyclopenta-2,4-dien-1-ylidene-1H-benzimidazole is CCCCN1C(=C2C=CC=C2)Nc2ccccc21.
What is the InChIKey of 3-butyl-2-cyclopenta-2,4-dien-1-ylidene-1H-benzimidazole?
The InChIKey is FAOAFLNPSNUPOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2/c1-2-3-12-18-15-11-7-6-10-14(15)17-16(18)13-8-4-5-9-13/h4-11,17H,2-3,12H2,1H3.
What are the key properties of 3-butyl-2-cyclopenta-2,4-dien-1-ylidene-1H-benzimidazole?
3-butyl-2-cyclopenta-2,4-dien-1-ylidene-1H-benzimidazole has a molecular weight of 238.33 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-2-cyclopenta-2,4-dien-1-ylidene-1H-benzimidazole is sourced from PubChem (CID 134861371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).