1-methylbenzimidazole;2-methyl-1H-benzimidazole;bis(6-methyl-1H-benzimidazole);2-methyl-1,3-benzoxazole;5-methyl-1,3-benzoxazole;6-methyl-1,3-benzoxazole;3-methyl-2H-indazole;5-methyl-1H-indazole;6-methyl-1H-indazole

C80H77N17O3 — CID 157101861

IUPAC1-methylbenzimidazole;2-methyl-1H-benzimidazole;bis(6-methyl-1H-benzimidazole);2-methyl-1,3-benzoxazole;5-methyl-1,3-benzoxazole;6-methyl-1,3-benzoxazole;3-methyl-2H-indazole;5-methyl-1H-indazole;6-methyl-1H-indazole
SMILESCc1[nH]nc2ccccc12.Cc1ccc2[nH]ncc2c1.Cc1ccc2cn[nH]c2c1.Cc1ccc2nc[nH]c2c1.Cc1ccc2nc[nH]c2c1.Cc1ccc2ncoc2c1.Cc1ccc2ocnc2c1.Cc1nc2ccccc2[nH]1.Cc1nc2ccccc2o1.Cn1cnc2ccccc21
InChIInChI=1S/7C8H8N2.3C8H7NO/c1-6-2-3-8-7(4-6)5-9-10-8;2*1-6-2-3-7-8(4-6)10-5-9-7;1-6-2-3-7-5-9-10-8(7)4-6;1-10-6-9-7-4-2-3-5-8(7)10;1-6-9-7-4-2-3-5-8(7)10-6;1-6-7-4-2-3-5-8(7)10-9-6;1-6-2-3-8-7(4-6)9-5-10-8;1-6-2-3-7-8(4-6)10-5-9-7;1-6-9-7-4-2-3-5-8(7)10-6/h4*2-5H,1H3,(H,9,10);2-6H,1H3;2*2-5H,1H3,(H,9,10);3*2-5H,1H3
InChIKeyAFVVSYGHCOUFGS-UHFFFAOYSA-N
MW1324.61 g/mol
LogP19.21
Rot. Bonds

About 1-methylbenzimidazole;2-methyl-1H-benzimidazole;bis(6-methyl-1H-benzimidazole);2-methyl-1,3-benzoxazole;5-methyl-1,3-benzoxazole;6-methyl-1,3-benzoxazole;3-methyl-2H-indazole;5-methyl-1H-indazole;6-methyl-1H-indazole

1-methylbenzimidazole;2-methyl-1H-benzimidazole;bis(6-methyl-1H-benzimidazole);2-methyl-1,3-benzoxazole;5-methyl-1,3-benzoxazole;6-methyl-1,3-benzoxazole;3-methyl-2H-indazole;5-methyl-1H-indazole;6-methyl-1H-indazole (PubChem CID 157101861) has the molecular formula C80H77N17O3 and a molecular weight of 1324.61 g/mol. Its IUPAC name is 1-methylbenzimidazole;2-methyl-1H-benzimidazole;bis(6-methyl-1H-benzimidazole);2-methyl-1,3-benzoxazole;5-methyl-1,3-benzoxazole;6-methyl-1,3-benzoxazole;3-methyl-2H-indazole;5-methyl-1H-indazole;6-methyl-1H-indazole.

Molecular Properties

Compound Name1-methylbenzimidazole;2-methyl-1H-benzimidazole;bis(6-methyl-1H-benzimidazole);2-methyl-1,3-benzoxazole;5-methyl-1,3-benzoxazole;6-methyl-1,3-benzoxazole;3-methyl-2H-indazole;5-methyl-1H-indazole;6-methyl-1H-indazole
PubChem CID157101861
Molecular FormulaC80H77N17O3
Molecular Weight1324.61 g/mol
Exact Mass1323.64
IUPAC Name1-methylbenzimidazole;2-methyl-1H-benzimidazole;bis(6-methyl-1H-benzimidazole);2-methyl-1,3-benzoxazole;5-methyl-1,3-benzoxazole;6-methyl-1,3-benzoxazole;3-methyl-2H-indazole;5-methyl-1H-indazole;6-methyl-1H-indazole
SMILESCc1[nH]nc2ccccc12.Cc1ccc2[nH]ncc2c1.Cc1ccc2cn[nH]c2c1.Cc1ccc2nc[nH]c2c1.Cc1ccc2nc[nH]c2c1.Cc1ccc2ncoc2c1.Cc1ccc2ocnc2c1.Cc1nc2ccccc2[nH]1.Cc1nc2ccccc2o1.Cn1cnc2ccccc21
InChIInChI=1S/7C8H8N2.3C8H7NO/c1-6-2-3-8-7(4-6)5-9-10-8;2*1-6-2-3-7-8(4-6)10-5-9-7;1-6-2-3-7-5-9-10-8(7)4-6;1-10-6-9-7-4-2-3-5-8(7)10;1-6-9-7-4-2-3-5-8(7)10-6;1-6-7-4-2-3-5-8(7)10-9-6;1-6-2-3-8-7(4-6)9-5-10-8;1-6-2-3-7-8(4-6)10-5-9-7;1-6-9-7-4-2-3-5-8(7)10-6/h4*2-5H,1H3,(H,9,10);2-6H,1H3;2*2-5H,1H3,(H,9,10);3*2-5H,1H3
InChIKeyAFVVSYGHCOUFGS-UHFFFAOYSA-N
XLogP19.21
TPSA267.99 Ų
H-Bond Donors6
H-Bond Acceptors14
Rotatable Bonds
Heavy Atoms100
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001324.61
LogP ≤ 519.21
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1014

Analyze 1-methylbenzimidazole;2-methyl-1H-benzimidazole;bis(6-methyl-1H-benzimidazole);2-methyl-1,3-benzoxazole;5-methyl-1,3-benzoxazole;6-methyl-1,3-benzoxazole;3-methyl-2H-indazole;5-methyl-1H-indazole;6-methyl-1H-indazole with MolForge

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Related Compounds

2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-1-[(E)-4-[2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-5-(1H-imidazol-2-yl)-7-(3-morpholin-4-ylpropoxy)benzimidazol-1-yl]but-2-enyl]-7-methoxybenzimidazole-5-carboxamide
CID 164615286
US11053243, Example 213
CID 67949560
2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-1-[(E)-4-[2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-5-(1H-imidazol-2-yl)-7-methoxybenzimidazol-1-yl]but-2-enyl]-7-(3-morpholin-4-ylpropoxy)benzimidazole-5-carboxamide
CID 164627244
US10596184, Example 54
CID 122447475
US10022387, Example 49
CID 122447476
US10022387, Example 50
CID 122447479
US10022387, Example 53
CID 122447482
US10022387, Example 57
CID 122447538
US10022387, Example 52
CID 122447574
US10022387, Example 48
CID 122447575
2-ethyl-N-[1-[(E)-4-[2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-5-(1H-imidazol-2-yl)-7-(3-morpholin-4-ylpropoxy)benzimidazol-1-yl]but-2-enyl]-5-(1H-imidazol-2-yl)-7-methoxybenzimidazol-2-yl]-5-methylpyrazole-3-carboxamide
CID 164628783
2-(1H-benzimidazol-2-yl)-6-(1-ethylindazol-6-yl)-1,3-benzoxazole;2,2,2-trifluoroacetic acid
CID 122447474

Frequently Asked Questions

What is the IUPAC name of 1-methylbenzimidazole;2-methyl-1H-benzimidazole;bis(6-methyl-1H-benzimidazole);2-methyl-1,3-benzoxazole;5-methyl-1,3-benzoxazole;6-methyl-1,3-benzoxazole;3-methyl-2H-indazole;5-methyl-1H-indazole;6-methyl-1H-indazole?
The IUPAC name of 1-methylbenzimidazole;2-methyl-1H-benzimidazole;bis(6-methyl-1H-benzimidazole);2-methyl-1,3-benzoxazole;5-methyl-1,3-benzoxazole;6-methyl-1,3-benzoxazole;3-methyl-2H-indazole;5-methyl-1H-indazole;6-methyl-1H-indazole (CID 157101861) is 1-methylbenzimidazole;2-methyl-1H-benzimidazole;bis(6-methyl-1H-benzimidazole);2-methyl-1,3-benzoxazole;5-methyl-1,3-benzoxazole;6-methyl-1,3-benzoxazole;3-methyl-2H-indazole;5-methyl-1H-indazole;6-methyl-1H-indazole.
What is the SMILES notation for 1-methylbenzimidazole;2-methyl-1H-benzimidazole;bis(6-methyl-1H-benzimidazole);2-methyl-1,3-benzoxazole;5-methyl-1,3-benzoxazole;6-methyl-1,3-benzoxazole;3-methyl-2H-indazole;5-methyl-1H-indazole;6-methyl-1H-indazole?
The canonical SMILES for 1-methylbenzimidazole;2-methyl-1H-benzimidazole;bis(6-methyl-1H-benzimidazole);2-methyl-1,3-benzoxazole;5-methyl-1,3-benzoxazole;6-methyl-1,3-benzoxazole;3-methyl-2H-indazole;5-methyl-1H-indazole;6-methyl-1H-indazole is Cc1[nH]nc2ccccc12.Cc1ccc2[nH]ncc2c1.Cc1ccc2cn[nH]c2c1.Cc1ccc2nc[nH]c2c1.Cc1ccc2nc[nH]c2c1.Cc1ccc2ncoc2c1.Cc1ccc2ocnc2c1.Cc1nc2ccccc2[nH]1.Cc1nc2ccccc2o1.Cn1cnc2ccccc21.
What is the InChIKey of 1-methylbenzimidazole;2-methyl-1H-benzimidazole;bis(6-methyl-1H-benzimidazole);2-methyl-1,3-benzoxazole;5-methyl-1,3-benzoxazole;6-methyl-1,3-benzoxazole;3-methyl-2H-indazole;5-methyl-1H-indazole;6-methyl-1H-indazole?
The InChIKey is AFVVSYGHCOUFGS-UHFFFAOYSA-N. The full InChI is InChI=1S/7C8H8N2.3C8H7NO/c1-6-2-3-8-7(4-6)5-9-10-8;2*1-6-2-3-7-8(4-6)10-5-9-7;1-6-2-3-7-5-9-10-8(7)4-6;1-10-6-9-7-4-2-3-5-8(7)10;1-6-9-7-4-2-3-5-8(7)10-6;1-6-7-4-2-3-5-8(7)10-9-6;1-6-2-3-8-7(4-6)9-5-10-8;1-6-2-3-7-8(4-6)10-5-9-7;1-6-9-7-4-2-3-5-8(7)10-6/h4*2-5H,1H3,(H,9,10);2-6H,1H3;2*2-5H,1H3,(H,9,10);3*2-5H,1H3.
What are the key properties of 1-methylbenzimidazole;2-methyl-1H-benzimidazole;bis(6-methyl-1H-benzimidazole);2-methyl-1,3-benzoxazole;5-methyl-1,3-benzoxazole;6-methyl-1,3-benzoxazole;3-methyl-2H-indazole;5-methyl-1H-indazole;6-methyl-1H-indazole?
1-methylbenzimidazole;2-methyl-1H-benzimidazole;bis(6-methyl-1H-benzimidazole);2-methyl-1,3-benzoxazole;5-methyl-1,3-benzoxazole;6-methyl-1,3-benzoxazole;3-methyl-2H-indazole;5-methyl-1H-indazole;6-methyl-1H-indazole has a molecular weight of 1324.61 g/mol, XLogP of 19.21, 0 rotatable bonds, 6 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylbenzimidazole;2-methyl-1H-benzimidazole;bis(6-methyl-1H-benzimidazole);2-methyl-1,3-benzoxazole;5-methyl-1,3-benzoxazole;6-methyl-1,3-benzoxazole;3-methyl-2H-indazole;5-methyl-1H-indazole;6-methyl-1H-indazole is sourced from PubChem (CID 157101861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).