2-(2-cyclopropylbenzimidazol-1-yl)-N-[4-methoxy-3-[(2-methoxyacetyl)amino]phenyl]acetamide

C22H24N4O4 — CID 131941468

IUPAC2-(2-cyclopropylbenzimidazol-1-yl)-N-[4-methoxy-3-[(2-methoxyacetyl)amino]phenyl]acetamide
SMILESCOCC(=O)Nc1cc(NC(=O)Cn2c(C3CC3)nc3ccccc32)ccc1OC
InChIInChI=1S/C22H24N4O4/c1-29-13-21(28)24-17-11-15(9-10-19(17)30-2)23-20(27)12-26-18-6-4-3-5-16(18)25-22(26)14-7-8-14/h3-6,9-11,14H,7-8,12-13H2,1-2H3,(H,23,27)(H,24,28)
InChIKeyHZRMAIBMHQQXRL-UHFFFAOYSA-N
MW408.46 g/mol
LogP3.15
Rot. Bonds8

About 2-(2-cyclopropylbenzimidazol-1-yl)-N-[4-methoxy-3-[(2-methoxyacetyl)amino]phenyl]acetamide

2-(2-cyclopropylbenzimidazol-1-yl)-N-[4-methoxy-3-[(2-methoxyacetyl)amino]phenyl]acetamide (PubChem CID 131941468) has the molecular formula C22H24N4O4 and a molecular weight of 408.46 g/mol. Its IUPAC name is 2-(2-cyclopropylbenzimidazol-1-yl)-N-[4-methoxy-3-[(2-methoxyacetyl)amino]phenyl]acetamide.

Molecular Properties

Compound Name2-(2-cyclopropylbenzimidazol-1-yl)-N-[4-methoxy-3-[(2-methoxyacetyl)amino]phenyl]acetamide
PubChem CID131941468
Molecular FormulaC22H24N4O4
Molecular Weight408.46 g/mol
Exact Mass408.18
IUPAC Name2-(2-cyclopropylbenzimidazol-1-yl)-N-[4-methoxy-3-[(2-methoxyacetyl)amino]phenyl]acetamide
SMILESCOCC(=O)Nc1cc(NC(=O)Cn2c(C3CC3)nc3ccccc32)ccc1OC
InChIInChI=1S/C22H24N4O4/c1-29-13-21(28)24-17-11-15(9-10-19(17)30-2)23-20(27)12-26-18-6-4-3-5-16(18)25-22(26)14-7-8-14/h3-6,9-11,14H,7-8,12-13H2,1-2H3,(H,23,27)(H,24,28)
InChIKeyHZRMAIBMHQQXRL-UHFFFAOYSA-N
XLogP3.15
TPSA94.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopropylbenzimidazol-1-yl)-N-[4-methoxy-3-[(2-methoxyacetyl)amino]phenyl]acetamide?
The IUPAC name of 2-(2-cyclopropylbenzimidazol-1-yl)-N-[4-methoxy-3-[(2-methoxyacetyl)amino]phenyl]acetamide (CID 131941468) is 2-(2-cyclopropylbenzimidazol-1-yl)-N-[4-methoxy-3-[(2-methoxyacetyl)amino]phenyl]acetamide.
What is the SMILES notation for 2-(2-cyclopropylbenzimidazol-1-yl)-N-[4-methoxy-3-[(2-methoxyacetyl)amino]phenyl]acetamide?
The canonical SMILES for 2-(2-cyclopropylbenzimidazol-1-yl)-N-[4-methoxy-3-[(2-methoxyacetyl)amino]phenyl]acetamide is COCC(=O)Nc1cc(NC(=O)Cn2c(C3CC3)nc3ccccc32)ccc1OC.
What is the InChIKey of 2-(2-cyclopropylbenzimidazol-1-yl)-N-[4-methoxy-3-[(2-methoxyacetyl)amino]phenyl]acetamide?
The InChIKey is HZRMAIBMHQQXRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O4/c1-29-13-21(28)24-17-11-15(9-10-19(17)30-2)23-20(27)12-26-18-6-4-3-5-16(18)25-22(26)14-7-8-14/h3-6,9-11,14H,7-8,12-13H2,1-2H3,(H,23,27)(H,24,28).
What are the key properties of 2-(2-cyclopropylbenzimidazol-1-yl)-N-[4-methoxy-3-[(2-methoxyacetyl)amino]phenyl]acetamide?
2-(2-cyclopropylbenzimidazol-1-yl)-N-[4-methoxy-3-[(2-methoxyacetyl)amino]phenyl]acetamide has a molecular weight of 408.46 g/mol, XLogP of 3.15, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopropylbenzimidazol-1-yl)-N-[4-methoxy-3-[(2-methoxyacetyl)amino]phenyl]acetamide is sourced from PubChem (CID 131941468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).