5-chloro-2-ethoxy-4-methyl-1H-benzimidazole

C10H11ClN2O — CID 131057675

IUPAC5-chloro-2-ethoxy-4-methyl-1H-benzimidazole
SMILESCCOc1nc2c(C)c(Cl)ccc2[nH]1
InChIInChI=1S/C10H11ClN2O/c1-3-14-10-12-8-5-4-7(11)6(2)9(8)13-10/h4-5H,3H2,1-2H3,(H,12,13)
InChIKeyQCLBAMXGMQRDIY-UHFFFAOYSA-N
MW210.66 g/mol
LogP2.92
Rot. Bonds2

About 5-chloro-2-ethoxy-4-methyl-1H-benzimidazole

5-chloro-2-ethoxy-4-methyl-1H-benzimidazole (PubChem CID 131057675) has the molecular formula C10H11ClN2O and a molecular weight of 210.66 g/mol. Its IUPAC name is 5-chloro-2-ethoxy-4-methyl-1H-benzimidazole.

Molecular Properties

Compound Name5-chloro-2-ethoxy-4-methyl-1H-benzimidazole
PubChem CID131057675
Molecular FormulaC10H11ClN2O
Molecular Weight210.66 g/mol
Exact Mass210.06
IUPAC Name5-chloro-2-ethoxy-4-methyl-1H-benzimidazole
SMILESCCOc1nc2c(C)c(Cl)ccc2[nH]1
InChIInChI=1S/C10H11ClN2O/c1-3-14-10-12-8-5-4-7(11)6(2)9(8)13-10/h4-5H,3H2,1-2H3,(H,12,13)
InChIKeyQCLBAMXGMQRDIY-UHFFFAOYSA-N
XLogP2.92
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.66
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-2-methoxy-4-methyl-1H-benzimidazole
CID 131002916
4-chloro-2-ethoxy-1H-benzimidazole
CID 69014735
5-chloro-4-methyl-1H-benzimidazol-2-amine
CID 84618510
N-[(5-chloro-4-methyl-1H-benzimidazol-2-yl)methyl]cyclopentanamine
CID 112741106
3-(5-chloro-4-methyl-1H-benzimidazol-2-yl)propanoic acid
CID 84629227
5-chloro-4-methyl-2-(piperidin-4-ylmethyl)-1H-benzimidazole
CID 84639371
2-ethoxy-1H-imidazo[4,5-b]pyridine
CID 69016773
5-chloro-2-(2-fluorophenyl)-4-methyl-1H-benzimidazole
CID 112741138
5-chloro-2-[(2S,4S)-4-methoxypyrrolidin-2-yl]-4-methyl-1H-benzimidazole
CID 118127345
5-chloro-2-ethoxy-6-(2-phenylethynyl)-1H-benzimidazole
CID 58387155
N-[2-(5-chloro-4-methyl-1H-benzimidazol-2-yl)ethyl]cyclopropanamine
CID 84633655
(E)-3-(5-chloro-4-methyl-1H-benzimidazol-2-yl)prop-2-enoic acid
CID 84628619

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-ethoxy-4-methyl-1H-benzimidazole?
The IUPAC name of 5-chloro-2-ethoxy-4-methyl-1H-benzimidazole (CID 131057675) is 5-chloro-2-ethoxy-4-methyl-1H-benzimidazole.
What is the SMILES notation for 5-chloro-2-ethoxy-4-methyl-1H-benzimidazole?
The canonical SMILES for 5-chloro-2-ethoxy-4-methyl-1H-benzimidazole is CCOc1nc2c(C)c(Cl)ccc2[nH]1.
What is the InChIKey of 5-chloro-2-ethoxy-4-methyl-1H-benzimidazole?
The InChIKey is QCLBAMXGMQRDIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O/c1-3-14-10-12-8-5-4-7(11)6(2)9(8)13-10/h4-5H,3H2,1-2H3,(H,12,13).
What are the key properties of 5-chloro-2-ethoxy-4-methyl-1H-benzimidazole?
5-chloro-2-ethoxy-4-methyl-1H-benzimidazole has a molecular weight of 210.66 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-ethoxy-4-methyl-1H-benzimidazole is sourced from PubChem (CID 131057675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).