N-(2-butyl-3H-benzimidazol-5-yl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide

C23H26N4O2 — CID 47074114

IUPACN-(2-butyl-3H-benzimidazol-5-yl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
SMILESCCCCc1nc2ccc(NC(=O)CCC3Cc4ccccc4NC3=O)cc2[nH]1
InChIInChI=1S/C23H26N4O2/c1-2-3-8-21-25-19-11-10-17(14-20(19)26-21)24-22(28)12-9-16-13-15-6-4-5-7-18(15)27-23(16)29/h4-7,10-11,14,16H,2-3,8-9,12-13H2,1H3,(H,24,28)(H,25,26)(H,27,29)
InChIKeyPVLRQMWWPYAJNN-UHFFFAOYSA-N
MW390.49 g/mol
LogP4.44
Rot. Bonds7

About N-(2-butyl-3H-benzimidazol-5-yl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide

N-(2-butyl-3H-benzimidazol-5-yl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide (PubChem CID 47074114) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is N-(2-butyl-3H-benzimidazol-5-yl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide.

Molecular Properties

Compound NameN-(2-butyl-3H-benzimidazol-5-yl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
PubChem CID47074114
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC NameN-(2-butyl-3H-benzimidazol-5-yl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
SMILESCCCCc1nc2ccc(NC(=O)CCC3Cc4ccccc4NC3=O)cc2[nH]1
InChIInChI=1S/C23H26N4O2/c1-2-3-8-21-25-19-11-10-17(14-20(19)26-21)24-22(28)12-9-16-13-15-6-4-5-7-18(15)27-23(16)29/h4-7,10-11,14,16H,2-3,8-9,12-13H2,1H3,(H,24,28)(H,25,26)(H,27,29)
InChIKeyPVLRQMWWPYAJNN-UHFFFAOYSA-N
XLogP4.44
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 54.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-butyl-3H-benzimidazol-5-yl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide?
The IUPAC name of N-(2-butyl-3H-benzimidazol-5-yl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide (CID 47074114) is N-(2-butyl-3H-benzimidazol-5-yl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide.
What is the SMILES notation for N-(2-butyl-3H-benzimidazol-5-yl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide?
The canonical SMILES for N-(2-butyl-3H-benzimidazol-5-yl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide is CCCCc1nc2ccc(NC(=O)CCC3Cc4ccccc4NC3=O)cc2[nH]1.
What is the InChIKey of N-(2-butyl-3H-benzimidazol-5-yl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide?
The InChIKey is PVLRQMWWPYAJNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-2-3-8-21-25-19-11-10-17(14-20(19)26-21)24-22(28)12-9-16-13-15-6-4-5-7-18(15)27-23(16)29/h4-7,10-11,14,16H,2-3,8-9,12-13H2,1H3,(H,24,28)(H,25,26)(H,27,29).
What are the key properties of N-(2-butyl-3H-benzimidazol-5-yl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide?
N-(2-butyl-3H-benzimidazol-5-yl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide has a molecular weight of 390.49 g/mol, XLogP of 4.44, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butyl-3H-benzimidazol-5-yl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide is sourced from PubChem (CID 47074114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).