N-[2-[(1-cyclohexylbenzimidazol-2-yl)amino]-2-oxoethyl]propanamide

C18H24N4O2 — CID 47078417

IUPACN-[2-[(1-cyclohexylbenzimidazol-2-yl)amino]-2-oxoethyl]propanamide
SMILESCCC(=O)NCC(=O)Nc1nc2ccccc2n1C1CCCCC1
InChIInChI=1S/C18H24N4O2/c1-2-16(23)19-12-17(24)21-18-20-14-10-6-7-11-15(14)22(18)13-8-4-3-5-9-13/h6-7,10-11,13H,2-5,8-9,12H2,1H3,(H,19,23)(H,20,21,24)
InChIKeyWNWJEPGCDPVPTR-UHFFFAOYSA-N
MW328.42 g/mol
LogP3.01
Rot. Bonds5

About N-[2-[(1-cyclohexylbenzimidazol-2-yl)amino]-2-oxoethyl]propanamide

N-[2-[(1-cyclohexylbenzimidazol-2-yl)amino]-2-oxoethyl]propanamide (PubChem CID 47078417) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is N-[2-[(1-cyclohexylbenzimidazol-2-yl)amino]-2-oxoethyl]propanamide.

Molecular Properties

Compound NameN-[2-[(1-cyclohexylbenzimidazol-2-yl)amino]-2-oxoethyl]propanamide
PubChem CID47078417
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC NameN-[2-[(1-cyclohexylbenzimidazol-2-yl)amino]-2-oxoethyl]propanamide
SMILESCCC(=O)NCC(=O)Nc1nc2ccccc2n1C1CCCCC1
InChIInChI=1S/C18H24N4O2/c1-2-16(23)19-12-17(24)21-18-20-14-10-6-7-11-15(14)22(18)13-8-4-3-5-9-13/h6-7,10-11,13H,2-5,8-9,12H2,1H3,(H,19,23)(H,20,21,24)
InChIKeyWNWJEPGCDPVPTR-UHFFFAOYSA-N
XLogP3.01
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(1-cyclohexylbenzimidazol-2-yl)amino]-2-oxoethyl]propanamide?
The IUPAC name of N-[2-[(1-cyclohexylbenzimidazol-2-yl)amino]-2-oxoethyl]propanamide (CID 47078417) is N-[2-[(1-cyclohexylbenzimidazol-2-yl)amino]-2-oxoethyl]propanamide.
What is the SMILES notation for N-[2-[(1-cyclohexylbenzimidazol-2-yl)amino]-2-oxoethyl]propanamide?
The canonical SMILES for N-[2-[(1-cyclohexylbenzimidazol-2-yl)amino]-2-oxoethyl]propanamide is CCC(=O)NCC(=O)Nc1nc2ccccc2n1C1CCCCC1.
What is the InChIKey of N-[2-[(1-cyclohexylbenzimidazol-2-yl)amino]-2-oxoethyl]propanamide?
The InChIKey is WNWJEPGCDPVPTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-2-16(23)19-12-17(24)21-18-20-14-10-6-7-11-15(14)22(18)13-8-4-3-5-9-13/h6-7,10-11,13H,2-5,8-9,12H2,1H3,(H,19,23)(H,20,21,24).
What are the key properties of N-[2-[(1-cyclohexylbenzimidazol-2-yl)amino]-2-oxoethyl]propanamide?
N-[2-[(1-cyclohexylbenzimidazol-2-yl)amino]-2-oxoethyl]propanamide has a molecular weight of 328.42 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1-cyclohexylbenzimidazol-2-yl)amino]-2-oxoethyl]propanamide is sourced from PubChem (CID 47078417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).