N-[2-[2-(2-ethylbutanoylamino)ethyl]-1-methylbenzimidazol-5-yl]benzamide

C23H28N4O2 — CID 50751836

IUPACN-[2-[2-(2-ethylbutanoylamino)ethyl]-1-methylbenzimidazol-5-yl]benzamide
SMILESCCC(CC)C(=O)NCCc1nc2cc(NC(=O)c3ccccc3)ccc2n1C
InChIInChI=1S/C23H28N4O2/c1-4-16(5-2)22(28)24-14-13-21-26-19-15-18(11-12-20(19)27(21)3)25-23(29)17-9-7-6-8-10-17/h6-12,15-16H,4-5,13-14H2,1-3H3,(H,24,28)(H,25,29)
InChIKeyQHIPHVLAFBYXFN-UHFFFAOYSA-N
MW392.50 g/mol
LogP3.92
Rot. Bonds8

About N-[2-[2-(2-ethylbutanoylamino)ethyl]-1-methylbenzimidazol-5-yl]benzamide

N-[2-[2-(2-ethylbutanoylamino)ethyl]-1-methylbenzimidazol-5-yl]benzamide (PubChem CID 50751836) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is N-[2-[2-(2-ethylbutanoylamino)ethyl]-1-methylbenzimidazol-5-yl]benzamide.

Molecular Properties

Compound NameN-[2-[2-(2-ethylbutanoylamino)ethyl]-1-methylbenzimidazol-5-yl]benzamide
PubChem CID50751836
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC NameN-[2-[2-(2-ethylbutanoylamino)ethyl]-1-methylbenzimidazol-5-yl]benzamide
SMILESCCC(CC)C(=O)NCCc1nc2cc(NC(=O)c3ccccc3)ccc2n1C
InChIInChI=1S/C23H28N4O2/c1-4-16(5-2)22(28)24-14-13-21-26-19-15-18(11-12-20(19)27(21)3)25-23(29)17-9-7-6-8-10-17/h6-12,15-16H,4-5,13-14H2,1-3H3,(H,24,28)(H,25,29)
InChIKeyQHIPHVLAFBYXFN-UHFFFAOYSA-N
XLogP3.92
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-methyl-2-(2-phenylethyl)benzimidazol-5-yl]benzamide
CID 46328940
N-[2-[2-(cyclopentanecarbonylamino)ethyl]-1-methylbenzimidazol-5-yl]benzamide
CID 46270360
2-ethyl-N-[2-[1-methyl-5-[[2-(2-methylphenoxy)acetyl]amino]benzimidazol-2-yl]ethyl]butanamide
CID 50751924
N-[2-[1-methyl-5-(phenylcarbamoylamino)benzimidazol-2-yl]ethyl]propanamide
CID 4890018
2-fluoro-N-[2-[1-methyl-5-[(3-methylbenzoyl)amino]benzimidazol-2-yl]ethyl]benzamide
CID 50751442
N-[2-[5-[(3-bromobenzoyl)amino]-1-methylbenzimidazol-2-yl]ethyl]-3-fluorobenzamide
CID 46270397
N-[2-(2-acetamidoethyl)-1-methylbenzimidazol-5-yl]-2-chlorobenzamide
CID 4886625
N-[1-methyl-2-[2-(2-oxopyrrolidin-1-yl)ethyl]benzimidazol-5-yl]benzamide
CID 17235960
N-[2-[2-[(3-fluorobenzoyl)amino]ethyl]-1-methylbenzimidazol-5-yl]-3-methylbenzamide
CID 46270391
4-methoxy-N-[1-methyl-2-(2-phenylethyl)benzimidazol-5-yl]benzamide
CID 46328919
N-[2-(2-acetamidoethyl)-1-methylbenzimidazol-5-yl]-3-nitrobenzamide
CID 4890462
N-[2-[5-(butanoylamino)-1-methylbenzimidazol-2-yl]ethyl]-2-fluorobenzamide
CID 50752067

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2-ethylbutanoylamino)ethyl]-1-methylbenzimidazol-5-yl]benzamide?
The IUPAC name of N-[2-[2-(2-ethylbutanoylamino)ethyl]-1-methylbenzimidazol-5-yl]benzamide (CID 50751836) is N-[2-[2-(2-ethylbutanoylamino)ethyl]-1-methylbenzimidazol-5-yl]benzamide.
What is the SMILES notation for N-[2-[2-(2-ethylbutanoylamino)ethyl]-1-methylbenzimidazol-5-yl]benzamide?
The canonical SMILES for N-[2-[2-(2-ethylbutanoylamino)ethyl]-1-methylbenzimidazol-5-yl]benzamide is CCC(CC)C(=O)NCCc1nc2cc(NC(=O)c3ccccc3)ccc2n1C.
What is the InChIKey of N-[2-[2-(2-ethylbutanoylamino)ethyl]-1-methylbenzimidazol-5-yl]benzamide?
The InChIKey is QHIPHVLAFBYXFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2/c1-4-16(5-2)22(28)24-14-13-21-26-19-15-18(11-12-20(19)27(21)3)25-23(29)17-9-7-6-8-10-17/h6-12,15-16H,4-5,13-14H2,1-3H3,(H,24,28)(H,25,29).
What are the key properties of N-[2-[2-(2-ethylbutanoylamino)ethyl]-1-methylbenzimidazol-5-yl]benzamide?
N-[2-[2-(2-ethylbutanoylamino)ethyl]-1-methylbenzimidazol-5-yl]benzamide has a molecular weight of 392.50 g/mol, XLogP of 3.92, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2-ethylbutanoylamino)ethyl]-1-methylbenzimidazol-5-yl]benzamide is sourced from PubChem (CID 50751836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).