2-methyl-1-[(1-methylpyrazol-3-yl)methyl]-4,5,6,7-tetrahydrobenzimidazole

C13H18N4 — CID 113343350

IUPAC2-methyl-1-[(1-methylpyrazol-3-yl)methyl]-4,5,6,7-tetrahydrobenzimidazole
SMILESCc1nc2c(n1Cc1ccn(C)n1)CCCC2
InChIInChI=1S/C13H18N4/c1-10-14-12-5-3-4-6-13(12)17(10)9-11-7-8-16(2)15-11/h7-8H,3-6,9H2,1-2H3
InChIKeyLRVGURZZDJLDHI-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.85
Rot. Bonds2

About 2-methyl-1-[(1-methylpyrazol-3-yl)methyl]-4,5,6,7-tetrahydrobenzimidazole

2-methyl-1-[(1-methylpyrazol-3-yl)methyl]-4,5,6,7-tetrahydrobenzimidazole (PubChem CID 113343350) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-methyl-1-[(1-methylpyrazol-3-yl)methyl]-4,5,6,7-tetrahydrobenzimidazole.

Molecular Properties

Compound Name2-methyl-1-[(1-methylpyrazol-3-yl)methyl]-4,5,6,7-tetrahydrobenzimidazole
PubChem CID113343350
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC Name2-methyl-1-[(1-methylpyrazol-3-yl)methyl]-4,5,6,7-tetrahydrobenzimidazole
SMILESCc1nc2c(n1Cc1ccn(C)n1)CCCC2
InChIInChI=1S/C13H18N4/c1-10-14-12-5-3-4-6-13(12)17(10)9-11-7-8-16(2)15-11/h7-8H,3-6,9H2,1-2H3
InChIKeyLRVGURZZDJLDHI-UHFFFAOYSA-N
XLogP1.85
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2,5-dichlorophenyl)methyl]-2-methyl-4,5,6,7-tetrahydrobenzimidazole
CID 116626515
1-[(2-methoxy-3-pyridinyl)methyl]-2-methyl-4,5,6,7-tetrahydrobenzimidazole
CID 116626720
3-ethyl-1-methylpyrazole;propane
CID 170573719
1-(2-tert-butylsulfonylethyl)-2-methyl-4,5,6,7-tetrahydrobenzimidazole
CID 103857979
4-tert-butyl-2-[(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)methyl]-1,3-thiazole
CID 116626719
1-but-2-ynyl-2-methyl-4,5,6,7-tetrahydrobenzimidazole
CID 115773580
1-[2-(2-methoxyphenoxy)ethyl]-2-methyl-4,5,6,7-tetrahydrobenzimidazole
CID 116626591
3-[(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 107078737
4-methyl-5-[2-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)ethyl]-1,3-thiazole
CID 115773628
2-fluoro-5-[(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)methyl]benzenecarbothioamide
CID 107879722
3-[(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)methyl]-5-propan-2-yl-1,2,4-oxadiazole
CID 115773617
1-methyl-3-(pyrrol-1-ylmethyl)pyrazole
CID 82872029

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(1-methylpyrazol-3-yl)methyl]-4,5,6,7-tetrahydrobenzimidazole?
The IUPAC name of 2-methyl-1-[(1-methylpyrazol-3-yl)methyl]-4,5,6,7-tetrahydrobenzimidazole (CID 113343350) is 2-methyl-1-[(1-methylpyrazol-3-yl)methyl]-4,5,6,7-tetrahydrobenzimidazole.
What is the SMILES notation for 2-methyl-1-[(1-methylpyrazol-3-yl)methyl]-4,5,6,7-tetrahydrobenzimidazole?
The canonical SMILES for 2-methyl-1-[(1-methylpyrazol-3-yl)methyl]-4,5,6,7-tetrahydrobenzimidazole is Cc1nc2c(n1Cc1ccn(C)n1)CCCC2.
What is the InChIKey of 2-methyl-1-[(1-methylpyrazol-3-yl)methyl]-4,5,6,7-tetrahydrobenzimidazole?
The InChIKey is LRVGURZZDJLDHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-10-14-12-5-3-4-6-13(12)17(10)9-11-7-8-16(2)15-11/h7-8H,3-6,9H2,1-2H3.
What are the key properties of 2-methyl-1-[(1-methylpyrazol-3-yl)methyl]-4,5,6,7-tetrahydrobenzimidazole?
2-methyl-1-[(1-methylpyrazol-3-yl)methyl]-4,5,6,7-tetrahydrobenzimidazole has a molecular weight of 230.31 g/mol, XLogP of 1.85, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(1-methylpyrazol-3-yl)methyl]-4,5,6,7-tetrahydrobenzimidazole is sourced from PubChem (CID 113343350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).