ethyl 2-[[methyl-[[1-methyl-5-(propan-2-ylcarbamoyl)benzimidazol-2-yl]methyl]carbamoyl]amino]acetate

C19H27N5O4 — CID 53104320

IUPACethyl 2-[[methyl-[[1-methyl-5-(propan-2-ylcarbamoyl)benzimidazol-2-yl]methyl]carbamoyl]amino]acetate
SMILESCCOC(=O)CNC(=O)N(C)Cc1nc2cc(C(=O)NC(C)C)ccc2n1C
InChIInChI=1S/C19H27N5O4/c1-6-28-17(25)10-20-19(27)23(4)11-16-22-14-9-13(18(26)21-12(2)3)7-8-15(14)24(16)5/h7-9,12H,6,10-11H2,1-5H3,(H,20,27)(H,21,26)
InChIKeyFKAKMAWLZJMBCY-UHFFFAOYSA-N
MW389.46 g/mol
LogP1.42
Rot. Bonds7

About ethyl 2-[[methyl-[[1-methyl-5-(propan-2-ylcarbamoyl)benzimidazol-2-yl]methyl]carbamoyl]amino]acetate

ethyl 2-[[methyl-[[1-methyl-5-(propan-2-ylcarbamoyl)benzimidazol-2-yl]methyl]carbamoyl]amino]acetate (PubChem CID 53104320) has the molecular formula C19H27N5O4 and a molecular weight of 389.46 g/mol. Its IUPAC name is ethyl 2-[[methyl-[[1-methyl-5-(propan-2-ylcarbamoyl)benzimidazol-2-yl]methyl]carbamoyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[methyl-[[1-methyl-5-(propan-2-ylcarbamoyl)benzimidazol-2-yl]methyl]carbamoyl]amino]acetate
PubChem CID53104320
Molecular FormulaC19H27N5O4
Molecular Weight389.46 g/mol
Exact Mass389.21
IUPAC Nameethyl 2-[[methyl-[[1-methyl-5-(propan-2-ylcarbamoyl)benzimidazol-2-yl]methyl]carbamoyl]amino]acetate
SMILESCCOC(=O)CNC(=O)N(C)Cc1nc2cc(C(=O)NC(C)C)ccc2n1C
InChIInChI=1S/C19H27N5O4/c1-6-28-17(25)10-20-19(27)23(4)11-16-22-14-9-13(18(26)21-12(2)3)7-8-15(14)24(16)5/h7-9,12H,6,10-11H2,1-5H3,(H,20,27)(H,21,26)
InChIKeyFKAKMAWLZJMBCY-UHFFFAOYSA-N
XLogP1.42
TPSA105.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[methyl-[[1-methyl-5-(propan-2-ylcarbamoyl)benzimidazol-2-yl]methyl]carbamoyl]amino]acetate?
The IUPAC name of ethyl 2-[[methyl-[[1-methyl-5-(propan-2-ylcarbamoyl)benzimidazol-2-yl]methyl]carbamoyl]amino]acetate (CID 53104320) is ethyl 2-[[methyl-[[1-methyl-5-(propan-2-ylcarbamoyl)benzimidazol-2-yl]methyl]carbamoyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[methyl-[[1-methyl-5-(propan-2-ylcarbamoyl)benzimidazol-2-yl]methyl]carbamoyl]amino]acetate?
The canonical SMILES for ethyl 2-[[methyl-[[1-methyl-5-(propan-2-ylcarbamoyl)benzimidazol-2-yl]methyl]carbamoyl]amino]acetate is CCOC(=O)CNC(=O)N(C)Cc1nc2cc(C(=O)NC(C)C)ccc2n1C.
What is the InChIKey of ethyl 2-[[methyl-[[1-methyl-5-(propan-2-ylcarbamoyl)benzimidazol-2-yl]methyl]carbamoyl]amino]acetate?
The InChIKey is FKAKMAWLZJMBCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O4/c1-6-28-17(25)10-20-19(27)23(4)11-16-22-14-9-13(18(26)21-12(2)3)7-8-15(14)24(16)5/h7-9,12H,6,10-11H2,1-5H3,(H,20,27)(H,21,26).
What are the key properties of ethyl 2-[[methyl-[[1-methyl-5-(propan-2-ylcarbamoyl)benzimidazol-2-yl]methyl]carbamoyl]amino]acetate?
ethyl 2-[[methyl-[[1-methyl-5-(propan-2-ylcarbamoyl)benzimidazol-2-yl]methyl]carbamoyl]amino]acetate has a molecular weight of 389.46 g/mol, XLogP of 1.42, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[methyl-[[1-methyl-5-(propan-2-ylcarbamoyl)benzimidazol-2-yl]methyl]carbamoyl]amino]acetate is sourced from PubChem (CID 53104320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).