N-(2-oxoazepan-3-yl)-3-(1-phenylbenzimidazol-2-yl)propanamide

C22H24N4O2 — CID 55858033

IUPACN-(2-oxoazepan-3-yl)-3-(1-phenylbenzimidazol-2-yl)propanamide
SMILESO=C(CCc1nc2ccccc2n1-c1ccccc1)NC1CCCCNC1=O
InChIInChI=1S/C22H24N4O2/c27-21(25-18-11-6-7-15-23-22(18)28)14-13-20-24-17-10-4-5-12-19(17)26(20)16-8-2-1-3-9-16/h1-5,8-10,12,18H,6-7,11,13-15H2,(H,23,28)(H,25,27)
InChIKeyLOALVNQREORHSB-UHFFFAOYSA-N
MW376.46 g/mol
LogP2.74
Rot. Bonds5

About N-(2-oxoazepan-3-yl)-3-(1-phenylbenzimidazol-2-yl)propanamide

N-(2-oxoazepan-3-yl)-3-(1-phenylbenzimidazol-2-yl)propanamide (PubChem CID 55858033) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is N-(2-oxoazepan-3-yl)-3-(1-phenylbenzimidazol-2-yl)propanamide.

Molecular Properties

Compound NameN-(2-oxoazepan-3-yl)-3-(1-phenylbenzimidazol-2-yl)propanamide
PubChem CID55858033
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC NameN-(2-oxoazepan-3-yl)-3-(1-phenylbenzimidazol-2-yl)propanamide
SMILESO=C(CCc1nc2ccccc2n1-c1ccccc1)NC1CCCCNC1=O
InChIInChI=1S/C22H24N4O2/c27-21(25-18-11-6-7-15-23-22(18)28)14-13-20-24-17-10-4-5-12-19(17)26(20)16-8-2-1-3-9-16/h1-5,8-10,12,18H,6-7,11,13-15H2,(H,23,28)(H,25,27)
InChIKeyLOALVNQREORHSB-UHFFFAOYSA-N
XLogP2.74
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-oxoazepan-3-yl)-3-(1-phenylbenzimidazol-2-yl)propanamide?
The IUPAC name of N-(2-oxoazepan-3-yl)-3-(1-phenylbenzimidazol-2-yl)propanamide (CID 55858033) is N-(2-oxoazepan-3-yl)-3-(1-phenylbenzimidazol-2-yl)propanamide.
What is the SMILES notation for N-(2-oxoazepan-3-yl)-3-(1-phenylbenzimidazol-2-yl)propanamide?
The canonical SMILES for N-(2-oxoazepan-3-yl)-3-(1-phenylbenzimidazol-2-yl)propanamide is O=C(CCc1nc2ccccc2n1-c1ccccc1)NC1CCCCNC1=O.
What is the InChIKey of N-(2-oxoazepan-3-yl)-3-(1-phenylbenzimidazol-2-yl)propanamide?
The InChIKey is LOALVNQREORHSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c27-21(25-18-11-6-7-15-23-22(18)28)14-13-20-24-17-10-4-5-12-19(17)26(20)16-8-2-1-3-9-16/h1-5,8-10,12,18H,6-7,11,13-15H2,(H,23,28)(H,25,27).
What are the key properties of N-(2-oxoazepan-3-yl)-3-(1-phenylbenzimidazol-2-yl)propanamide?
N-(2-oxoazepan-3-yl)-3-(1-phenylbenzimidazol-2-yl)propanamide has a molecular weight of 376.46 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxoazepan-3-yl)-3-(1-phenylbenzimidazol-2-yl)propanamide is sourced from PubChem (CID 55858033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).