2-amino-N-[2,4-dichloro-3-[(1,2-dimethylbenzimidazol-4-yl)oxymethyl]phenyl]-N-methylacetamide

C19H20Cl2N4O2 — CID 15462176

IUPAC2-amino-N-[2,4-dichloro-3-[(1,2-dimethylbenzimidazol-4-yl)oxymethyl]phenyl]-N-methylacetamide
SMILESCc1nc2c(OCc3c(Cl)ccc(N(C)C(=O)CN)c3Cl)cccc2n1C
InChIInChI=1S/C19H20Cl2N4O2/c1-11-23-19-15(24(11)2)5-4-6-16(19)27-10-12-13(20)7-8-14(18(12)21)25(3)17(26)9-22/h4-8H,9-10,22H2,1-3H3
InChIKeyXCBIHGCBVPFGDL-UHFFFAOYSA-N
MW407.30 g/mol
LogP3.69
Rot. Bonds5

About 2-amino-N-[2,4-dichloro-3-[(1,2-dimethylbenzimidazol-4-yl)oxymethyl]phenyl]-N-methylacetamide

2-amino-N-[2,4-dichloro-3-[(1,2-dimethylbenzimidazol-4-yl)oxymethyl]phenyl]-N-methylacetamide (PubChem CID 15462176) has the molecular formula C19H20Cl2N4O2 and a molecular weight of 407.30 g/mol. Its IUPAC name is 2-amino-N-[2,4-dichloro-3-[(1,2-dimethylbenzimidazol-4-yl)oxymethyl]phenyl]-N-methylacetamide.

Molecular Properties

Compound Name2-amino-N-[2,4-dichloro-3-[(1,2-dimethylbenzimidazol-4-yl)oxymethyl]phenyl]-N-methylacetamide
PubChem CID15462176
Molecular FormulaC19H20Cl2N4O2
Molecular Weight407.30 g/mol
Exact Mass406.10
IUPAC Name2-amino-N-[2,4-dichloro-3-[(1,2-dimethylbenzimidazol-4-yl)oxymethyl]phenyl]-N-methylacetamide
SMILESCc1nc2c(OCc3c(Cl)ccc(N(C)C(=O)CN)c3Cl)cccc2n1C
InChIInChI=1S/C19H20Cl2N4O2/c1-11-23-19-15(24(11)2)5-4-6-16(19)27-10-12-13(20)7-8-14(18(12)21)25(3)17(26)9-22/h4-8H,9-10,22H2,1-3H3
InChIKeyXCBIHGCBVPFGDL-UHFFFAOYSA-N
XLogP3.69
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.30
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2,4-dichloro-3-[(1,2-dimethylbenzimidazol-4-yl)oxymethyl]phenyl]-N-methylacetamide?
The IUPAC name of 2-amino-N-[2,4-dichloro-3-[(1,2-dimethylbenzimidazol-4-yl)oxymethyl]phenyl]-N-methylacetamide (CID 15462176) is 2-amino-N-[2,4-dichloro-3-[(1,2-dimethylbenzimidazol-4-yl)oxymethyl]phenyl]-N-methylacetamide.
What is the SMILES notation for 2-amino-N-[2,4-dichloro-3-[(1,2-dimethylbenzimidazol-4-yl)oxymethyl]phenyl]-N-methylacetamide?
The canonical SMILES for 2-amino-N-[2,4-dichloro-3-[(1,2-dimethylbenzimidazol-4-yl)oxymethyl]phenyl]-N-methylacetamide is Cc1nc2c(OCc3c(Cl)ccc(N(C)C(=O)CN)c3Cl)cccc2n1C.
What is the InChIKey of 2-amino-N-[2,4-dichloro-3-[(1,2-dimethylbenzimidazol-4-yl)oxymethyl]phenyl]-N-methylacetamide?
The InChIKey is XCBIHGCBVPFGDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N4O2/c1-11-23-19-15(24(11)2)5-4-6-16(19)27-10-12-13(20)7-8-14(18(12)21)25(3)17(26)9-22/h4-8H,9-10,22H2,1-3H3.
What are the key properties of 2-amino-N-[2,4-dichloro-3-[(1,2-dimethylbenzimidazol-4-yl)oxymethyl]phenyl]-N-methylacetamide?
2-amino-N-[2,4-dichloro-3-[(1,2-dimethylbenzimidazol-4-yl)oxymethyl]phenyl]-N-methylacetamide has a molecular weight of 407.30 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2,4-dichloro-3-[(1,2-dimethylbenzimidazol-4-yl)oxymethyl]phenyl]-N-methylacetamide is sourced from PubChem (CID 15462176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).