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

C9H9ClN2O — CID 131002916

IUPAC5-chloro-2-methoxy-4-methyl-1H-benzimidazole
SMILESCOc1nc2c(C)c(Cl)ccc2[nH]1
InChIInChI=1S/C9H9ClN2O/c1-5-6(10)3-4-7-8(5)12-9(11-7)13-2/h3-4H,1-2H3,(H,11,12)
InChIKeyHGUAEVXZDVPDOL-UHFFFAOYSA-N
MW196.64 g/mol
LogP2.53
Rot. Bonds1

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

5-chloro-2-methoxy-4-methyl-1H-benzimidazole (PubChem CID 131002916) has the molecular formula C9H9ClN2O and a molecular weight of 196.64 g/mol. Its IUPAC name is 5-chloro-2-methoxy-4-methyl-1H-benzimidazole.

Molecular Properties

Compound Name5-chloro-2-methoxy-4-methyl-1H-benzimidazole
PubChem CID131002916
Molecular FormulaC9H9ClN2O
Molecular Weight196.64 g/mol
Exact Mass196.04
IUPAC Name5-chloro-2-methoxy-4-methyl-1H-benzimidazole
SMILESCOc1nc2c(C)c(Cl)ccc2[nH]1
InChIInChI=1S/C9H9ClN2O/c1-5-6(10)3-4-7-8(5)12-9(11-7)13-2/h3-4H,1-2H3,(H,11,12)
InChIKeyHGUAEVXZDVPDOL-UHFFFAOYSA-N
XLogP2.53
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.64
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-2-ethoxy-4-methyl-1H-benzimidazole
CID 131057675
5-chloro-4-methyl-1H-benzimidazol-2-amine
CID 84618510
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
4-chloro-2-methoxy-1H-imidazo[4,5-d]pyridazine
CID 87454726
3-(5-chloro-4-methyl-1H-benzimidazol-2-yl)propanoic acid
CID 84629227
(E)-3-(5-chloro-4-methyl-1H-benzimidazol-2-yl)prop-2-enoic acid
CID 84628619
2-methoxy-1H-benzimidazole-4-carbonyl chloride
CID 130772163
5-chloro-4-methyl-2-(piperidin-4-ylmethyl)-1H-benzimidazole
CID 84639371
5-chloro-4-methyl-2-(2-methylpyrrolidin-2-yl)-1H-benzimidazole
CID 118142630
N-[(5-chloro-4-methyl-1H-benzimidazol-2-yl)methyl]cyclopentanamine
CID 112741106
N-[2-(5-chloro-4-methyl-1H-benzimidazol-2-yl)ethyl]cyclopropanamine
CID 84633655

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-4-methyl-1H-benzimidazole?
The IUPAC name of 5-chloro-2-methoxy-4-methyl-1H-benzimidazole (CID 131002916) is 5-chloro-2-methoxy-4-methyl-1H-benzimidazole.
What is the SMILES notation for 5-chloro-2-methoxy-4-methyl-1H-benzimidazole?
The canonical SMILES for 5-chloro-2-methoxy-4-methyl-1H-benzimidazole is COc1nc2c(C)c(Cl)ccc2[nH]1.
What is the InChIKey of 5-chloro-2-methoxy-4-methyl-1H-benzimidazole?
The InChIKey is HGUAEVXZDVPDOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2O/c1-5-6(10)3-4-7-8(5)12-9(11-7)13-2/h3-4H,1-2H3,(H,11,12).
What are the key properties of 5-chloro-2-methoxy-4-methyl-1H-benzimidazole?
5-chloro-2-methoxy-4-methyl-1H-benzimidazole has a molecular weight of 196.64 g/mol, XLogP of 2.53, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-4-methyl-1H-benzimidazole is sourced from PubChem (CID 131002916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).