(2-aminobenzimidazol-1-yl)-(3,4-dimethoxyphenyl)methanone;hydrochloride

C16H16ClN3O3 — CID 24746866

IUPAC(2-aminobenzimidazol-1-yl)-(3,4-dimethoxyphenyl)methanone;hydrochloride
SMILESCOc1ccc(C(=O)n2c(N)nc3ccccc32)cc1OC.Cl
InChIInChI=1S/C16H15N3O3.ClH/c1-21-13-8-7-10(9-14(13)22-2)15(20)19-12-6-4-3-5-11(12)18-16(19)17;/h3-9H,1-2H3,(H2,17,18);1H
InChIKeyYHNZRHCJAQYNFP-UHFFFAOYSA-N
MW333.78 g/mol
LogP2.75
Rot. Bonds3

About (2-aminobenzimidazol-1-yl)-(3,4-dimethoxyphenyl)methanone;hydrochloride

(2-aminobenzimidazol-1-yl)-(3,4-dimethoxyphenyl)methanone;hydrochloride (PubChem CID 24746866) has the molecular formula C16H16ClN3O3 and a molecular weight of 333.78 g/mol. Its IUPAC name is (2-aminobenzimidazol-1-yl)-(3,4-dimethoxyphenyl)methanone;hydrochloride.

Molecular Properties

Compound Name(2-aminobenzimidazol-1-yl)-(3,4-dimethoxyphenyl)methanone;hydrochloride
PubChem CID24746866
Molecular FormulaC16H16ClN3O3
Molecular Weight333.78 g/mol
Exact Mass333.09
IUPAC Name(2-aminobenzimidazol-1-yl)-(3,4-dimethoxyphenyl)methanone;hydrochloride
SMILESCOc1ccc(C(=O)n2c(N)nc3ccccc32)cc1OC.Cl
InChIInChI=1S/C16H15N3O3.ClH/c1-21-13-8-7-10(9-14(13)22-2)15(20)19-12-6-4-3-5-11(12)18-16(19)17;/h3-9H,1-2H3,(H2,17,18);1H
InChIKeyYHNZRHCJAQYNFP-UHFFFAOYSA-N
XLogP2.75
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.78
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2-aminobenzimidazol-1-yl)-(3,4-dimethoxyphenyl)methanone;hydrochloride?
The IUPAC name of (2-aminobenzimidazol-1-yl)-(3,4-dimethoxyphenyl)methanone;hydrochloride (CID 24746866) is (2-aminobenzimidazol-1-yl)-(3,4-dimethoxyphenyl)methanone;hydrochloride.
What is the SMILES notation for (2-aminobenzimidazol-1-yl)-(3,4-dimethoxyphenyl)methanone;hydrochloride?
The canonical SMILES for (2-aminobenzimidazol-1-yl)-(3,4-dimethoxyphenyl)methanone;hydrochloride is COc1ccc(C(=O)n2c(N)nc3ccccc32)cc1OC.Cl.
What is the InChIKey of (2-aminobenzimidazol-1-yl)-(3,4-dimethoxyphenyl)methanone;hydrochloride?
The InChIKey is YHNZRHCJAQYNFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3.ClH/c1-21-13-8-7-10(9-14(13)22-2)15(20)19-12-6-4-3-5-11(12)18-16(19)17;/h3-9H,1-2H3,(H2,17,18);1H.
What are the key properties of (2-aminobenzimidazol-1-yl)-(3,4-dimethoxyphenyl)methanone;hydrochloride?
(2-aminobenzimidazol-1-yl)-(3,4-dimethoxyphenyl)methanone;hydrochloride has a molecular weight of 333.78 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-aminobenzimidazol-1-yl)-(3,4-dimethoxyphenyl)methanone;hydrochloride is sourced from PubChem (CID 24746866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).