N-[[1-[2-(dicyclohexylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]-3-phenylpropanamide

C31H40N4O2 — CID 16970743

IUPACN-[[1-[2-(dicyclohexylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)NCc1nc2ccccc2n1CC(=O)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C31H40N4O2/c36-30(21-20-24-12-4-1-5-13-24)32-22-29-33-27-18-10-11-19-28(27)34(29)23-31(37)35(25-14-6-2-7-15-25)26-16-8-3-9-17-26/h1,4-5,10-13,18-19,25-26H,2-3,6-9,14-17,20-23H2,(H,32,36)
InChIKeyBGZKDYOWWYFGTI-UHFFFAOYSA-N
MW500.69 g/mol
LogP5.78
Rot. Bonds9

About N-[[1-[2-(dicyclohexylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]-3-phenylpropanamide

N-[[1-[2-(dicyclohexylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]-3-phenylpropanamide (PubChem CID 16970743) has the molecular formula C31H40N4O2 and a molecular weight of 500.69 g/mol. Its IUPAC name is N-[[1-[2-(dicyclohexylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[[1-[2-(dicyclohexylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]-3-phenylpropanamide
PubChem CID16970743
Molecular FormulaC31H40N4O2
Molecular Weight500.69 g/mol
Exact Mass500.32
IUPAC NameN-[[1-[2-(dicyclohexylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)NCc1nc2ccccc2n1CC(=O)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C31H40N4O2/c36-30(21-20-24-12-4-1-5-13-24)32-22-29-33-27-18-10-11-19-28(27)34(29)23-31(37)35(25-14-6-2-7-15-25)26-16-8-3-9-17-26/h1,4-5,10-13,18-19,25-26H,2-3,6-9,14-17,20-23H2,(H,32,36)
InChIKeyBGZKDYOWWYFGTI-UHFFFAOYSA-N
XLogP5.78
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.69
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[1-[2-[benzyl(cyclohexyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-3-phenylpropanamide
CID 16978358
N-[[1-(2-cyclohexylethyl)benzimidazol-2-yl]methyl]-3-phenylpropanamide
CID 16970632
2-[2-[[[2-(4-chlorophenoxy)acetyl]amino]methyl]benzimidazol-1-yl]-N,N-dicyclohexylacetamide
CID 16971223
N-[[1-[2-(dicyclohexylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]-2-ethylbutanamide
CID 17006501
N-benzyl-N-cyclohexyl-2-[2-[[(2-methoxyacetyl)amino]methyl]benzimidazol-1-yl]acetamide
CID 17006639
2-chloro-N-[[1-[2-(dicyclohexylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide
CID 17007564
2-[2-(2-acetamidoethyl)benzimidazol-1-yl]-N,N-dicyclohexylacetamide
CID 16974247
N,N-dicyclohexyl-2-[2-[(4-phenylphenyl)methyl]benzimidazol-1-yl]acetamide
CID 16987501
N-[[1-[2-(dicyclohexylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]pyridine-3-carboxamide
CID 16964062
N-[2-[1-[2-(dicyclohexylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-(2-methylphenyl)acetamide
CID 16979223
N-[3-[1-[2-[benzyl(cyclohexyl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]butanamide
CID 16981235
N,N-dicyclohexyl-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide
CID 16997064

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(dicyclohexylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]-3-phenylpropanamide?
The IUPAC name of N-[[1-[2-(dicyclohexylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]-3-phenylpropanamide (CID 16970743) is N-[[1-[2-(dicyclohexylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]-3-phenylpropanamide.
What is the SMILES notation for N-[[1-[2-(dicyclohexylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]-3-phenylpropanamide?
The canonical SMILES for N-[[1-[2-(dicyclohexylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]-3-phenylpropanamide is O=C(CCc1ccccc1)NCc1nc2ccccc2n1CC(=O)N(C1CCCCC1)C1CCCCC1.
What is the InChIKey of N-[[1-[2-(dicyclohexylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]-3-phenylpropanamide?
The InChIKey is BGZKDYOWWYFGTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H40N4O2/c36-30(21-20-24-12-4-1-5-13-24)32-22-29-33-27-18-10-11-19-28(27)34(29)23-31(37)35(25-14-6-2-7-15-25)26-16-8-3-9-17-26/h1,4-5,10-13,18-19,25-26H,2-3,6-9,14-17,20-23H2,(H,32,36).
What are the key properties of N-[[1-[2-(dicyclohexylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]-3-phenylpropanamide?
N-[[1-[2-(dicyclohexylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]-3-phenylpropanamide has a molecular weight of 500.69 g/mol, XLogP of 5.78, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(dicyclohexylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]-3-phenylpropanamide is sourced from PubChem (CID 16970743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).