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

C19H20Cl2N4O3 — CID 10764741

IUPAC2-amino-N-[2,4-dichloro-3-[(2-methoxy-1-methylbenzimidazol-4-yl)oxymethyl]phenyl]-N-methylacetamide
SMILESCOc1nc2c(OCc3c(Cl)ccc(N(C)C(=O)CN)c3Cl)cccc2n1C
InChIInChI=1S/C19H20Cl2N4O3/c1-24(16(26)9-22)13-8-7-12(20)11(17(13)21)10-28-15-6-4-5-14-18(15)23-19(27-3)25(14)2/h4-8H,9-10,22H2,1-3H3
InChIKeyJRNDQRJLAFFDAD-UHFFFAOYSA-N
MW423.30 g/mol
LogP3.39
Rot. Bonds6

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

2-amino-N-[2,4-dichloro-3-[(2-methoxy-1-methylbenzimidazol-4-yl)oxymethyl]phenyl]-N-methylacetamide (PubChem CID 10764741) has the molecular formula C19H20Cl2N4O3 and a molecular weight of 423.30 g/mol. Its IUPAC name is 2-amino-N-[2,4-dichloro-3-[(2-methoxy-1-methylbenzimidazol-4-yl)oxymethyl]phenyl]-N-methylacetamide.

Molecular Properties

Compound Name2-amino-N-[2,4-dichloro-3-[(2-methoxy-1-methylbenzimidazol-4-yl)oxymethyl]phenyl]-N-methylacetamide
PubChem CID10764741
Molecular FormulaC19H20Cl2N4O3
Molecular Weight423.30 g/mol
Exact Mass422.09
IUPAC Name2-amino-N-[2,4-dichloro-3-[(2-methoxy-1-methylbenzimidazol-4-yl)oxymethyl]phenyl]-N-methylacetamide
SMILESCOc1nc2c(OCc3c(Cl)ccc(N(C)C(=O)CN)c3Cl)cccc2n1C
InChIInChI=1S/C19H20Cl2N4O3/c1-24(16(26)9-22)13-8-7-12(20)11(17(13)21)10-28-15-6-4-5-14-18(15)23-19(27-3)25(14)2/h4-8H,9-10,22H2,1-3H3
InChIKeyJRNDQRJLAFFDAD-UHFFFAOYSA-N
XLogP3.39
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.30
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2,4-dichloro-3-[(2-methoxy-1-methylbenzimidazol-4-yl)oxymethyl]phenyl]-N-methylacetamide?
The IUPAC name of 2-amino-N-[2,4-dichloro-3-[(2-methoxy-1-methylbenzimidazol-4-yl)oxymethyl]phenyl]-N-methylacetamide (CID 10764741) is 2-amino-N-[2,4-dichloro-3-[(2-methoxy-1-methylbenzimidazol-4-yl)oxymethyl]phenyl]-N-methylacetamide.
What is the SMILES notation for 2-amino-N-[2,4-dichloro-3-[(2-methoxy-1-methylbenzimidazol-4-yl)oxymethyl]phenyl]-N-methylacetamide?
The canonical SMILES for 2-amino-N-[2,4-dichloro-3-[(2-methoxy-1-methylbenzimidazol-4-yl)oxymethyl]phenyl]-N-methylacetamide is COc1nc2c(OCc3c(Cl)ccc(N(C)C(=O)CN)c3Cl)cccc2n1C.
What is the InChIKey of 2-amino-N-[2,4-dichloro-3-[(2-methoxy-1-methylbenzimidazol-4-yl)oxymethyl]phenyl]-N-methylacetamide?
The InChIKey is JRNDQRJLAFFDAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N4O3/c1-24(16(26)9-22)13-8-7-12(20)11(17(13)21)10-28-15-6-4-5-14-18(15)23-19(27-3)25(14)2/h4-8H,9-10,22H2,1-3H3.
What are the key properties of 2-amino-N-[2,4-dichloro-3-[(2-methoxy-1-methylbenzimidazol-4-yl)oxymethyl]phenyl]-N-methylacetamide?
2-amino-N-[2,4-dichloro-3-[(2-methoxy-1-methylbenzimidazol-4-yl)oxymethyl]phenyl]-N-methylacetamide has a molecular weight of 423.30 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2,4-dichloro-3-[(2-methoxy-1-methylbenzimidazol-4-yl)oxymethyl]phenyl]-N-methylacetamide is sourced from PubChem (CID 10764741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).