6-chloro-2-propan-2-yl-1H-benzimidazole;5,6-dichloro-2-propan-2-yl-1H-benzimidazole;bis(6-methyl-2-propan-2-yl-1H-benzimidazole);2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1H-imidazo[4,5-b]pyridine

C61H72Cl3N13 — CID 159421448

IUPAC6-chloro-2-propan-2-yl-1H-benzimidazole;5,6-dichloro-2-propan-2-yl-1H-benzimidazole;bis(6-methyl-2-propan-2-yl-1H-benzimidazole);2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1H-imidazo[4,5-b]pyridine
SMILESCC(C)c1nc2cc(Cl)c(Cl)cc2[nH]1.CC(C)c1nc2ccc(Cl)cc2[nH]1.CC(C)c1nc2ccccc2[nH]1.CC(C)c1nc2ncccc2[nH]1.Cc1ccc2nc(C(C)C)[nH]c2c1.Cc1ccc2nc(C(C)C)[nH]c2c1
InChIInChI=1S/2C11H14N2.C10H10Cl2N2.C10H11ClN2.C10H12N2.C9H11N3/c2*1-7(2)11-12-9-5-4-8(3)6-10(9)13-11;1-5(2)10-13-8-3-6(11)7(12)4-9(8)14-10;1-6(2)10-12-8-4-3-7(11)5-9(8)13-10;1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-6(2)8-11-7-4-3-5-10-9(7)12-8/h2*4-7H,1-3H3,(H,12,13);3-5H,1-2H3,(H,13,14);3-6H,1-2H3,(H,12,13);3-7H,1-2H3,(H,11,12);3-6H,1-2H3,(H,10,11,12)
InChIKeyLPUXQGABBLTLGM-UHFFFAOYSA-N
MW1093.70 g/mol
LogP18.09
Rot. Bonds6

About 6-chloro-2-propan-2-yl-1H-benzimidazole;5,6-dichloro-2-propan-2-yl-1H-benzimidazole;bis(6-methyl-2-propan-2-yl-1H-benzimidazole);2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1H-imidazo[4,5-b]pyridine

6-chloro-2-propan-2-yl-1H-benzimidazole;5,6-dichloro-2-propan-2-yl-1H-benzimidazole;bis(6-methyl-2-propan-2-yl-1H-benzimidazole);2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1H-imidazo[4,5-b]pyridine (PubChem CID 159421448) has the molecular formula C61H72Cl3N13 and a molecular weight of 1093.70 g/mol. Its IUPAC name is 6-chloro-2-propan-2-yl-1H-benzimidazole;5,6-dichloro-2-propan-2-yl-1H-benzimidazole;bis(6-methyl-2-propan-2-yl-1H-benzimidazole);2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name6-chloro-2-propan-2-yl-1H-benzimidazole;5,6-dichloro-2-propan-2-yl-1H-benzimidazole;bis(6-methyl-2-propan-2-yl-1H-benzimidazole);2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1H-imidazo[4,5-b]pyridine
PubChem CID159421448
Molecular FormulaC61H72Cl3N13
Molecular Weight1093.70 g/mol
Exact Mass1091.51
IUPAC Name6-chloro-2-propan-2-yl-1H-benzimidazole;5,6-dichloro-2-propan-2-yl-1H-benzimidazole;bis(6-methyl-2-propan-2-yl-1H-benzimidazole);2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1H-imidazo[4,5-b]pyridine
SMILESCC(C)c1nc2cc(Cl)c(Cl)cc2[nH]1.CC(C)c1nc2ccc(Cl)cc2[nH]1.CC(C)c1nc2ccccc2[nH]1.CC(C)c1nc2ncccc2[nH]1.Cc1ccc2nc(C(C)C)[nH]c2c1.Cc1ccc2nc(C(C)C)[nH]c2c1
InChIInChI=1S/2C11H14N2.C10H10Cl2N2.C10H11ClN2.C10H12N2.C9H11N3/c2*1-7(2)11-12-9-5-4-8(3)6-10(9)13-11;1-5(2)10-13-8-3-6(11)7(12)4-9(8)14-10;1-6(2)10-12-8-4-3-7(11)5-9(8)13-10;1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-6(2)8-11-7-4-3-5-10-9(7)12-8/h2*4-7H,1-3H3,(H,12,13);3-5H,1-2H3,(H,13,14);3-6H,1-2H3,(H,12,13);3-7H,1-2H3,(H,11,12);3-6H,1-2H3,(H,10,11,12)
InChIKeyLPUXQGABBLTLGM-UHFFFAOYSA-N
XLogP18.09
TPSA184.97 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms77
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001093.70
LogP ≤ 518.09
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

Analyze 6-chloro-2-propan-2-yl-1H-benzimidazole;5,6-dichloro-2-propan-2-yl-1H-benzimidazole;bis(6-methyl-2-propan-2-yl-1H-benzimidazole);2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1H-imidazo[4,5-b]pyridine with MolForge

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Launch Full Analysis

Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-propan-2-yl-1H-benzimidazole;5,6-dichloro-2-propan-2-yl-1H-benzimidazole;bis(6-methyl-2-propan-2-yl-1H-benzimidazole);2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 6-chloro-2-propan-2-yl-1H-benzimidazole;5,6-dichloro-2-propan-2-yl-1H-benzimidazole;bis(6-methyl-2-propan-2-yl-1H-benzimidazole);2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1H-imidazo[4,5-b]pyridine (CID 159421448) is 6-chloro-2-propan-2-yl-1H-benzimidazole;5,6-dichloro-2-propan-2-yl-1H-benzimidazole;bis(6-methyl-2-propan-2-yl-1H-benzimidazole);2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 6-chloro-2-propan-2-yl-1H-benzimidazole;5,6-dichloro-2-propan-2-yl-1H-benzimidazole;bis(6-methyl-2-propan-2-yl-1H-benzimidazole);2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 6-chloro-2-propan-2-yl-1H-benzimidazole;5,6-dichloro-2-propan-2-yl-1H-benzimidazole;bis(6-methyl-2-propan-2-yl-1H-benzimidazole);2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1H-imidazo[4,5-b]pyridine is CC(C)c1nc2cc(Cl)c(Cl)cc2[nH]1.CC(C)c1nc2ccc(Cl)cc2[nH]1.CC(C)c1nc2ccccc2[nH]1.CC(C)c1nc2ncccc2[nH]1.Cc1ccc2nc(C(C)C)[nH]c2c1.Cc1ccc2nc(C(C)C)[nH]c2c1.
What is the InChIKey of 6-chloro-2-propan-2-yl-1H-benzimidazole;5,6-dichloro-2-propan-2-yl-1H-benzimidazole;bis(6-methyl-2-propan-2-yl-1H-benzimidazole);2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1H-imidazo[4,5-b]pyridine?
The InChIKey is LPUXQGABBLTLGM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H14N2.C10H10Cl2N2.C10H11ClN2.C10H12N2.C9H11N3/c2*1-7(2)11-12-9-5-4-8(3)6-10(9)13-11;1-5(2)10-13-8-3-6(11)7(12)4-9(8)14-10;1-6(2)10-12-8-4-3-7(11)5-9(8)13-10;1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-6(2)8-11-7-4-3-5-10-9(7)12-8/h2*4-7H,1-3H3,(H,12,13);3-5H,1-2H3,(H,13,14);3-6H,1-2H3,(H,12,13);3-7H,1-2H3,(H,11,12);3-6H,1-2H3,(H,10,11,12).
What are the key properties of 6-chloro-2-propan-2-yl-1H-benzimidazole;5,6-dichloro-2-propan-2-yl-1H-benzimidazole;bis(6-methyl-2-propan-2-yl-1H-benzimidazole);2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1H-imidazo[4,5-b]pyridine?
6-chloro-2-propan-2-yl-1H-benzimidazole;5,6-dichloro-2-propan-2-yl-1H-benzimidazole;bis(6-methyl-2-propan-2-yl-1H-benzimidazole);2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1H-imidazo[4,5-b]pyridine has a molecular weight of 1093.70 g/mol, XLogP of 18.09, 6 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-propan-2-yl-1H-benzimidazole;5,6-dichloro-2-propan-2-yl-1H-benzimidazole;bis(6-methyl-2-propan-2-yl-1H-benzimidazole);2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 159421448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).