2-(3-methylimidazol-4-yl)-4,5,6,7-tetrahydro-1H-benzimidazole

C11H14N4 — CID 103512416

IUPAC2-(3-methylimidazol-4-yl)-4,5,6,7-tetrahydro-1H-benzimidazole
SMILESCn1cncc1-c1nc2c([nH]1)CCCC2
InChIInChI=1S/C11H14N4/c1-15-7-12-6-10(15)11-13-8-4-2-3-5-9(8)14-11/h6-7H,2-5H2,1H3,(H,13,14)
InChIKeyQEDNYNBVNFKOLN-UHFFFAOYSA-N
MW202.26 g/mol
LogP1.69
Rot. Bonds1

About 2-(3-methylimidazol-4-yl)-4,5,6,7-tetrahydro-1H-benzimidazole

2-(3-methylimidazol-4-yl)-4,5,6,7-tetrahydro-1H-benzimidazole (PubChem CID 103512416) has the molecular formula C11H14N4 and a molecular weight of 202.26 g/mol. Its IUPAC name is 2-(3-methylimidazol-4-yl)-4,5,6,7-tetrahydro-1H-benzimidazole.

Molecular Properties

Compound Name2-(3-methylimidazol-4-yl)-4,5,6,7-tetrahydro-1H-benzimidazole
PubChem CID103512416
Molecular FormulaC11H14N4
Molecular Weight202.26 g/mol
Exact Mass202.12
IUPAC Name2-(3-methylimidazol-4-yl)-4,5,6,7-tetrahydro-1H-benzimidazole
SMILESCn1cncc1-c1nc2c([nH]1)CCCC2
InChIInChI=1S/C11H14N4/c1-15-7-12-6-10(15)11-13-8-4-2-3-5-9(8)14-11/h6-7H,2-5H2,1H3,(H,13,14)
InChIKeyQEDNYNBVNFKOLN-UHFFFAOYSA-N
XLogP1.69
TPSA46.50 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 ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-methyl-2-(3-methylimidazol-4-yl)-4,5,6,7-tetrahydro-1H-benzimidazole
CID 103512420
2-(3-methylimidazol-4-yl)-4,5,6,7-tetrahydro-1H-benzimidazol-4-amine
CID 103512426
N-methyl-2-(3-methylimidazol-4-yl)-5,6,7,8-tetrahydroquinazolin-4-amine
CID 66119358
5,6-dimethyl-2-(3-methylimidazol-4-yl)-1H-pyrimidine-4-thione
CID 106476625
2-(3-methylimidazol-4-yl)-1H-benzimidazole
CID 68602182
5,6-dimethyl-2-(3-methylimidazol-4-yl)-1H-benzimidazole
CID 103511219
N-ethyl-2-(3-methylimidazol-4-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 66116420
1-methyl-5-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazole
CID 91528973
6-methyl-2-(3-methylimidazol-4-yl)-1H-benzimidazole
CID 103511214
6-methyl-2-(3-methylimidazol-4-yl)-5-propan-2-yl-1H-pyrimidine-4-thione
CID 106477876
2-phenyl-1,4,5,6-tetrahydrocyclopenta[d]imidazole
CID 141264099
2-(3-methylimidazol-4-yl)-1H-imidazole-5-carbaldehyde
CID 82901948

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylimidazol-4-yl)-4,5,6,7-tetrahydro-1H-benzimidazole?
The IUPAC name of 2-(3-methylimidazol-4-yl)-4,5,6,7-tetrahydro-1H-benzimidazole (CID 103512416) is 2-(3-methylimidazol-4-yl)-4,5,6,7-tetrahydro-1H-benzimidazole.
What is the SMILES notation for 2-(3-methylimidazol-4-yl)-4,5,6,7-tetrahydro-1H-benzimidazole?
The canonical SMILES for 2-(3-methylimidazol-4-yl)-4,5,6,7-tetrahydro-1H-benzimidazole is Cn1cncc1-c1nc2c([nH]1)CCCC2.
What is the InChIKey of 2-(3-methylimidazol-4-yl)-4,5,6,7-tetrahydro-1H-benzimidazole?
The InChIKey is QEDNYNBVNFKOLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4/c1-15-7-12-6-10(15)11-13-8-4-2-3-5-9(8)14-11/h6-7H,2-5H2,1H3,(H,13,14).
What are the key properties of 2-(3-methylimidazol-4-yl)-4,5,6,7-tetrahydro-1H-benzimidazole?
2-(3-methylimidazol-4-yl)-4,5,6,7-tetrahydro-1H-benzimidazole has a molecular weight of 202.26 g/mol, XLogP of 1.69, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylimidazol-4-yl)-4,5,6,7-tetrahydro-1H-benzimidazole is sourced from PubChem (CID 103512416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).