4-(cyclobutylmethoxy)-1-methyl-5-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-3-(2-phenylethyl)benzimidazol-2-one

C29H30N4O3 — CID 118093860

IUPAC4-(cyclobutylmethoxy)-1-methyl-5-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-3-(2-phenylethyl)benzimidazol-2-one
SMILESCn1cc(-c2ccc3c(c2OCC2CCC2)n(CCc2ccccc2)c(=O)n3C)c2cc[nH]c2c1=O
InChIInChI=1S/C29H30N4O3/c1-31-17-23(21-13-15-30-25(21)28(31)34)22-11-12-24-26(27(22)36-18-20-9-6-10-20)33(29(35)32(24)2)16-14-19-7-4-3-5-8-19/h3-5,7-8,11-13,15,17,20,30H,6,9-10,14,16,18H2,1-2H3
InChIKeyUIZFJALODZKRPW-UHFFFAOYSA-N
MW482.58 g/mol
LogP4.61
Rot. Bonds7

About 4-(cyclobutylmethoxy)-1-methyl-5-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-3-(2-phenylethyl)benzimidazol-2-one

4-(cyclobutylmethoxy)-1-methyl-5-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-3-(2-phenylethyl)benzimidazol-2-one (PubChem CID 118093860) has the molecular formula C29H30N4O3 and a molecular weight of 482.58 g/mol. Its IUPAC name is 4-(cyclobutylmethoxy)-1-methyl-5-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-3-(2-phenylethyl)benzimidazol-2-one.

Molecular Properties

Compound Name4-(cyclobutylmethoxy)-1-methyl-5-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-3-(2-phenylethyl)benzimidazol-2-one
PubChem CID118093860
Molecular FormulaC29H30N4O3
Molecular Weight482.58 g/mol
Exact Mass482.23
IUPAC Name4-(cyclobutylmethoxy)-1-methyl-5-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-3-(2-phenylethyl)benzimidazol-2-one
SMILESCn1cc(-c2ccc3c(c2OCC2CCC2)n(CCc2ccccc2)c(=O)n3C)c2cc[nH]c2c1=O
InChIInChI=1S/C29H30N4O3/c1-31-17-23(21-13-15-30-25(21)28(31)34)22-11-12-24-26(27(22)36-18-20-9-6-10-20)33(29(35)32(24)2)16-14-19-7-4-3-5-8-19/h3-5,7-8,11-13,15,17,20,30H,6,9-10,14,16,18H2,1-2H3
InChIKeyUIZFJALODZKRPW-UHFFFAOYSA-N
XLogP4.61
TPSA73.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.58
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclobutylmethoxy)-1-methyl-5-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-3-(2-phenylethyl)benzimidazol-2-one?
The IUPAC name of 4-(cyclobutylmethoxy)-1-methyl-5-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-3-(2-phenylethyl)benzimidazol-2-one (CID 118093860) is 4-(cyclobutylmethoxy)-1-methyl-5-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-3-(2-phenylethyl)benzimidazol-2-one.
What is the SMILES notation for 4-(cyclobutylmethoxy)-1-methyl-5-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-3-(2-phenylethyl)benzimidazol-2-one?
The canonical SMILES for 4-(cyclobutylmethoxy)-1-methyl-5-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-3-(2-phenylethyl)benzimidazol-2-one is Cn1cc(-c2ccc3c(c2OCC2CCC2)n(CCc2ccccc2)c(=O)n3C)c2cc[nH]c2c1=O.
What is the InChIKey of 4-(cyclobutylmethoxy)-1-methyl-5-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-3-(2-phenylethyl)benzimidazol-2-one?
The InChIKey is UIZFJALODZKRPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N4O3/c1-31-17-23(21-13-15-30-25(21)28(31)34)22-11-12-24-26(27(22)36-18-20-9-6-10-20)33(29(35)32(24)2)16-14-19-7-4-3-5-8-19/h3-5,7-8,11-13,15,17,20,30H,6,9-10,14,16,18H2,1-2H3.
What are the key properties of 4-(cyclobutylmethoxy)-1-methyl-5-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-3-(2-phenylethyl)benzimidazol-2-one?
4-(cyclobutylmethoxy)-1-methyl-5-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-3-(2-phenylethyl)benzimidazol-2-one has a molecular weight of 482.58 g/mol, XLogP of 4.61, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclobutylmethoxy)-1-methyl-5-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-3-(2-phenylethyl)benzimidazol-2-one is sourced from PubChem (CID 118093860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).