(Z)-1-(1,2-dimethylbenzimidazol-4-yl)prop-1-en-1-ol

C12H14N2O — CID 21334340

IUPAC(Z)-1-(1,2-dimethylbenzimidazol-4-yl)prop-1-en-1-ol
SMILESC/C=C(\O)c1cccc2c1nc(C)n2C
InChIInChI=1S/C12H14N2O/c1-4-11(15)9-6-5-7-10-12(9)13-8(2)14(10)3/h4-7,15H,1-3H3/b11-4-
InChIKeyKUCRDTDRJNFAKK-WCIBSUBMSA-N
MW202.26 g/mol
LogP2.80
Rot. Bonds1

About (Z)-1-(1,2-dimethylbenzimidazol-4-yl)prop-1-en-1-ol

(Z)-1-(1,2-dimethylbenzimidazol-4-yl)prop-1-en-1-ol (PubChem CID 21334340) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is (Z)-1-(1,2-dimethylbenzimidazol-4-yl)prop-1-en-1-ol.

Molecular Properties

Compound Name(Z)-1-(1,2-dimethylbenzimidazol-4-yl)prop-1-en-1-ol
PubChem CID21334340
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name(Z)-1-(1,2-dimethylbenzimidazol-4-yl)prop-1-en-1-ol
SMILESC/C=C(\O)c1cccc2c1nc(C)n2C
InChIInChI=1S/C12H14N2O/c1-4-11(15)9-6-5-7-10-12(9)13-8(2)14(10)3/h4-7,15H,1-3H3/b11-4-
InChIKeyKUCRDTDRJNFAKK-WCIBSUBMSA-N
XLogP2.80
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

2-(4-carboxy-1-methylbenzimidazol-2-yl)-1-methylbenzimidazole-4-carboxylic acid;platinum
CID 91868096
2-(1,2-dimethylbenzimidazol-4-yl)-2-hydroxyacetic acid
CID 117313900
1-(2-methoxyethyl)-2-methylbenzimidazole-4-carboxylic acid
CID 115543015
1-[2-(dimethylamino)ethyl]-2-methylbenzimidazole-4-carboxylic acid
CID 115542757
2-methyl-1-(1-methylpyrazol-3-yl)benzimidazole-4-carboxylic acid
CID 115543895
1,2,4,6-tetramethylbenzimidazole
CID 58565379
1-(4-methoxybutyl)-2-methylbenzimidazole-4-carboxylic acid
CID 115543377
1-(2-cyclopropylethyl)-2-methylbenzimidazole-4-carboxylic acid
CID 113332313
2-methyl-1-(5-methylhexyl)benzimidazole-4-carboxylic acid
CID 115543972
1-methoxy-2-methylbenzimidazole-4-carboxamide
CID 150414284
1-(1,2-dimethylbenzimidazol-4-yl)pyrrolidin-3-ol
CID 168988981
ethane;methyl 2-(1,2-dimethylbenzimidazol-4-yl)-2-hydroxyacetate
CID 90870116

Frequently Asked Questions

What is the IUPAC name of (Z)-1-(1,2-dimethylbenzimidazol-4-yl)prop-1-en-1-ol?
The IUPAC name of (Z)-1-(1,2-dimethylbenzimidazol-4-yl)prop-1-en-1-ol (CID 21334340) is (Z)-1-(1,2-dimethylbenzimidazol-4-yl)prop-1-en-1-ol.
What is the SMILES notation for (Z)-1-(1,2-dimethylbenzimidazol-4-yl)prop-1-en-1-ol?
The canonical SMILES for (Z)-1-(1,2-dimethylbenzimidazol-4-yl)prop-1-en-1-ol is C/C=C(\O)c1cccc2c1nc(C)n2C.
What is the InChIKey of (Z)-1-(1,2-dimethylbenzimidazol-4-yl)prop-1-en-1-ol?
The InChIKey is KUCRDTDRJNFAKK-WCIBSUBMSA-N. The full InChI is InChI=1S/C12H14N2O/c1-4-11(15)9-6-5-7-10-12(9)13-8(2)14(10)3/h4-7,15H,1-3H3/b11-4-.
What are the key properties of (Z)-1-(1,2-dimethylbenzimidazol-4-yl)prop-1-en-1-ol?
(Z)-1-(1,2-dimethylbenzimidazol-4-yl)prop-1-en-1-ol has a molecular weight of 202.26 g/mol, XLogP of 2.80, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(1,2-dimethylbenzimidazol-4-yl)prop-1-en-1-ol is sourced from PubChem (CID 21334340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).