N-[1-[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-methylprop-2-enamide

C21H30N4O2 — CID 16970232

IUPACN-[1-[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NC(C)c1nc2ccccc2n1CC(=O)N(CCC)CCC
InChIInChI=1S/C21H30N4O2/c1-6-12-24(13-7-2)19(26)14-25-18-11-9-8-10-17(18)23-20(25)16(5)22-21(27)15(3)4/h8-11,16H,3,6-7,12-14H2,1-2,4-5H3,(H,22,27)
InChIKeyKPIWMLIRBVLLMJ-UHFFFAOYSA-N
MW370.50 g/mol
LogP3.44
Rot. Bonds9

About N-[1-[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-methylprop-2-enamide

N-[1-[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-methylprop-2-enamide (PubChem CID 16970232) has the molecular formula C21H30N4O2 and a molecular weight of 370.50 g/mol. Its IUPAC name is N-[1-[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-[1-[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-methylprop-2-enamide
PubChem CID16970232
Molecular FormulaC21H30N4O2
Molecular Weight370.50 g/mol
Exact Mass370.24
IUPAC NameN-[1-[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NC(C)c1nc2ccccc2n1CC(=O)N(CCC)CCC
InChIInChI=1S/C21H30N4O2/c1-6-12-24(13-7-2)19(26)14-25-18-11-9-8-10-17(18)23-20(25)16(5)22-21(27)15(3)4/h8-11,16H,3,6-7,12-14H2,1-2,4-5H3,(H,22,27)
InChIKeyKPIWMLIRBVLLMJ-UHFFFAOYSA-N
XLogP3.44
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[1-[1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-methylprop-2-enamide
CID 16970234
3-bromo-N-[1-[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
CID 17010378
N-[1-[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-2,4-dimethylbenzamide
CID 16967909
2-ethyl-N-[1-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethyl]butanamide
CID 16969002
2-methyl-N-[1-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]ethyl]prop-2-enamide
CID 16970142
N-[1-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]-2-methylprop-2-enamide
CID 16970127
N-[1-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethyl]benzamide
CID 4753696
N-[1-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethyl]-2-phenylacetamide
CID 16972514
N-[1-[1-[2-(4-methoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-methylprop-2-enamide
CID 16970172
2-[2-[1-(6-methoxynaphthalen-2-yl)ethyl]benzimidazol-1-yl]-N,N-dipropylacetamide
CID 16996377
2-methyl-N-[1-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]ethyl]prop-2-enamide
CID 16970174
N-[1-[1-[4-(2,6-dimethylphenoxy)butyl]benzimidazol-2-yl]ethyl]-2-methylprop-2-enamide
CID 16970208

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-methylprop-2-enamide?
The IUPAC name of N-[1-[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-methylprop-2-enamide (CID 16970232) is N-[1-[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-methylprop-2-enamide.
What is the SMILES notation for N-[1-[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-methylprop-2-enamide?
The canonical SMILES for N-[1-[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-methylprop-2-enamide is C=C(C)C(=O)NC(C)c1nc2ccccc2n1CC(=O)N(CCC)CCC.
What is the InChIKey of N-[1-[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-methylprop-2-enamide?
The InChIKey is KPIWMLIRBVLLMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O2/c1-6-12-24(13-7-2)19(26)14-25-18-11-9-8-10-17(18)23-20(25)16(5)22-21(27)15(3)4/h8-11,16H,3,6-7,12-14H2,1-2,4-5H3,(H,22,27).
What are the key properties of N-[1-[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-methylprop-2-enamide?
N-[1-[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-methylprop-2-enamide has a molecular weight of 370.50 g/mol, XLogP of 3.44, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-methylprop-2-enamide is sourced from PubChem (CID 16970232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).