2-methyl-1-[(2-methyltetrazol-5-yl)methyl]-4,5,6,7-tetrahydrobenzimidazole

C11H16N6 — CID 107054446

IUPAC2-methyl-1-[(2-methyltetrazol-5-yl)methyl]-4,5,6,7-tetrahydrobenzimidazole
SMILESCc1nc2c(n1Cc1nnn(C)n1)CCCC2
InChIInChI=1S/C11H16N6/c1-8-12-9-5-3-4-6-10(9)17(8)7-11-13-15-16(2)14-11/h3-7H2,1-2H3
InChIKeyXULXCMHROFDNFT-UHFFFAOYSA-N
MW232.29 g/mol
LogP0.64
Rot. Bonds2

About 2-methyl-1-[(2-methyltetrazol-5-yl)methyl]-4,5,6,7-tetrahydrobenzimidazole

2-methyl-1-[(2-methyltetrazol-5-yl)methyl]-4,5,6,7-tetrahydrobenzimidazole (PubChem CID 107054446) has the molecular formula C11H16N6 and a molecular weight of 232.29 g/mol. Its IUPAC name is 2-methyl-1-[(2-methyltetrazol-5-yl)methyl]-4,5,6,7-tetrahydrobenzimidazole.

Molecular Properties

Compound Name2-methyl-1-[(2-methyltetrazol-5-yl)methyl]-4,5,6,7-tetrahydrobenzimidazole
PubChem CID107054446
Molecular FormulaC11H16N6
Molecular Weight232.29 g/mol
Exact Mass232.14
IUPAC Name2-methyl-1-[(2-methyltetrazol-5-yl)methyl]-4,5,6,7-tetrahydrobenzimidazole
SMILESCc1nc2c(n1Cc1nnn(C)n1)CCCC2
InChIInChI=1S/C11H16N6/c1-8-12-9-5-3-4-6-10(9)17(8)7-11-13-15-16(2)14-11/h3-7H2,1-2H3
InChIKeyXULXCMHROFDNFT-UHFFFAOYSA-N
XLogP0.64
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-methyl-1-[(2-methyltetrazol-5-yl)methyl]-4,5,6,7-tetrahydrobenzimidazole 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

1-Methyl-2-(pyrrolidin-2-yl)-4,5,6,7-tetrahydro-1H-1,3-benzodiazole
CID 82112825
1-(2-Fluoroethyl)-2-methyl-4,5,6,7-tetrahydrobenzimidazole
CID 116626639
1-(3-Fluoropropyl)-2-methyl-4,5,6,7-tetrahydrobenzimidazole
CID 116626721
N-ethyl-N-methyl-1-[[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]methyl]tetrazol-5-amine
CID 136569482
1-[[5-(Difluoromethyl)-1-methyltriazol-4-yl]methyl]-2-(trifluoromethyl)-4,5,6,7-tetrahydrobenzimidazole
CID 167924066
1,2-Dimethyl-4,5,6,7-tetrahydrobenzimidazole
CID 18740782
1-Methyl-2-[(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)methyl]-4,5,6,7-tetrahydrobenzimidazole
CID 20586211
2-Methyl-1-propan-2-yl-4,5,6,7-tetrahydrobenzimidazole
CID 68046023
1-Methyl-2-propan-2-yl-4,5,6,7-tetrahydrobenzimidazole
CID 83381614
Ethane;1-methyl-2-[(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)methyl]-4,5,6,7-tetrahydrobenzimidazole
CID 91110578
6-[2-(2-Methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)ethyl]-1,3,5-triazine-2,4-diamine
CID 141264101
1,2-Dimethyl-4,5,6,7-tetrahydrobenzimidazole;propane
CID 145512297

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(2-methyltetrazol-5-yl)methyl]-4,5,6,7-tetrahydrobenzimidazole?
The IUPAC name of 2-methyl-1-[(2-methyltetrazol-5-yl)methyl]-4,5,6,7-tetrahydrobenzimidazole (CID 107054446) is 2-methyl-1-[(2-methyltetrazol-5-yl)methyl]-4,5,6,7-tetrahydrobenzimidazole.
What is the SMILES notation for 2-methyl-1-[(2-methyltetrazol-5-yl)methyl]-4,5,6,7-tetrahydrobenzimidazole?
The canonical SMILES for 2-methyl-1-[(2-methyltetrazol-5-yl)methyl]-4,5,6,7-tetrahydrobenzimidazole is Cc1nc2c(n1Cc1nnn(C)n1)CCCC2.
What is the InChIKey of 2-methyl-1-[(2-methyltetrazol-5-yl)methyl]-4,5,6,7-tetrahydrobenzimidazole?
The InChIKey is XULXCMHROFDNFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6/c1-8-12-9-5-3-4-6-10(9)17(8)7-11-13-15-16(2)14-11/h3-7H2,1-2H3.
What are the key properties of 2-methyl-1-[(2-methyltetrazol-5-yl)methyl]-4,5,6,7-tetrahydrobenzimidazole?
2-methyl-1-[(2-methyltetrazol-5-yl)methyl]-4,5,6,7-tetrahydrobenzimidazole has a molecular weight of 232.29 g/mol, XLogP of 0.64, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(2-methyltetrazol-5-yl)methyl]-4,5,6,7-tetrahydrobenzimidazole is sourced from PubChem (CID 107054446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).