2-chloro-5-methoxy-1-(6-propan-2-yl-3-pyridinyl)benzimidazole

C16H16ClN3O — CID 168729104

IUPAC2-chloro-5-methoxy-1-(6-propan-2-yl-3-pyridinyl)benzimidazole
SMILESCOc1ccc2c(c1)nc(Cl)n2-c1ccc(C(C)C)nc1
InChIInChI=1S/C16H16ClN3O/c1-10(2)13-6-4-11(9-18-13)20-15-7-5-12(21-3)8-14(15)19-16(20)17/h4-10H,1-3H3
InChIKeyAHDRSDHINDWMQC-UHFFFAOYSA-N
MW301.78 g/mol
LogP4.21
Rot. Bonds3

About 2-chloro-5-methoxy-1-(6-propan-2-yl-3-pyridinyl)benzimidazole

2-chloro-5-methoxy-1-(6-propan-2-yl-3-pyridinyl)benzimidazole (PubChem CID 168729104) has the molecular formula C16H16ClN3O and a molecular weight of 301.78 g/mol. Its IUPAC name is 2-chloro-5-methoxy-1-(6-propan-2-yl-3-pyridinyl)benzimidazole.

Molecular Properties

Compound Name2-chloro-5-methoxy-1-(6-propan-2-yl-3-pyridinyl)benzimidazole
PubChem CID168729104
Molecular FormulaC16H16ClN3O
Molecular Weight301.78 g/mol
Exact Mass301.10
IUPAC Name2-chloro-5-methoxy-1-(6-propan-2-yl-3-pyridinyl)benzimidazole
SMILESCOc1ccc2c(c1)nc(Cl)n2-c1ccc(C(C)C)nc1
InChIInChI=1S/C16H16ClN3O/c1-10(2)13-6-4-11(9-18-13)20-15-7-5-12(21-3)8-14(15)19-16(20)17/h4-10H,1-3H3
InChIKeyAHDRSDHINDWMQC-UHFFFAOYSA-N
XLogP4.21
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.78
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-methoxy-1-(6-propan-2-yl-3-pyridinyl)benzimidazole?
The IUPAC name of 2-chloro-5-methoxy-1-(6-propan-2-yl-3-pyridinyl)benzimidazole (CID 168729104) is 2-chloro-5-methoxy-1-(6-propan-2-yl-3-pyridinyl)benzimidazole.
What is the SMILES notation for 2-chloro-5-methoxy-1-(6-propan-2-yl-3-pyridinyl)benzimidazole?
The canonical SMILES for 2-chloro-5-methoxy-1-(6-propan-2-yl-3-pyridinyl)benzimidazole is COc1ccc2c(c1)nc(Cl)n2-c1ccc(C(C)C)nc1.
What is the InChIKey of 2-chloro-5-methoxy-1-(6-propan-2-yl-3-pyridinyl)benzimidazole?
The InChIKey is AHDRSDHINDWMQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O/c1-10(2)13-6-4-11(9-18-13)20-15-7-5-12(21-3)8-14(15)19-16(20)17/h4-10H,1-3H3.
What are the key properties of 2-chloro-5-methoxy-1-(6-propan-2-yl-3-pyridinyl)benzimidazole?
2-chloro-5-methoxy-1-(6-propan-2-yl-3-pyridinyl)benzimidazole has a molecular weight of 301.78 g/mol, XLogP of 4.21, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-methoxy-1-(6-propan-2-yl-3-pyridinyl)benzimidazole is sourced from PubChem (CID 168729104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).