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

C24H36N4O2 — CID 16975107

IUPACN-[2-[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide
SMILESCCCN(CCC)C(=O)Cn1c(CCNC(=O)C2CCCCC2)nc2ccccc21
InChIInChI=1S/C24H36N4O2/c1-3-16-27(17-4-2)23(29)18-28-21-13-9-8-12-20(21)26-22(28)14-15-25-24(30)19-10-6-5-7-11-19/h8-9,12-13,19H,3-7,10-11,14-18H2,1-2H3,(H,25,30)
InChIKeyQAFAZDYNGXMWEN-UHFFFAOYSA-N
MW412.58 g/mol
LogP3.92
Rot. Bonds10

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

N-[2-[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide (PubChem CID 16975107) has the molecular formula C24H36N4O2 and a molecular weight of 412.58 g/mol. Its IUPAC name is N-[2-[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide
PubChem CID16975107
Molecular FormulaC24H36N4O2
Molecular Weight412.58 g/mol
Exact Mass412.28
IUPAC NameN-[2-[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide
SMILESCCCN(CCC)C(=O)Cn1c(CCNC(=O)C2CCCCC2)nc2ccccc21
InChIInChI=1S/C24H36N4O2/c1-3-16-27(17-4-2)23(29)18-28-21-13-9-8-12-20(21)26-22(28)14-15-25-24(30)19-10-6-5-7-11-19/h8-9,12-13,19H,3-7,10-11,14-18H2,1-2H3,(H,25,30)
InChIKeyQAFAZDYNGXMWEN-UHFFFAOYSA-N
XLogP3.92
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.58
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[2-[2-(cyclohexanecarbonylamino)ethyl]benzimidazol-1-yl]acetate
CID 16975124
N-[2-(1-octylbenzimidazol-2-yl)ethyl]cyclohexanecarboxamide
CID 18888831
propan-2-yl 2-[2-[2-(cyclohexanecarbonylamino)ethyl]benzimidazol-1-yl]acetate
CID 16975126
N-[2-(1-butylbenzimidazol-2-yl)ethyl]cyclopropanecarboxamide
CID 16975142
N-[2-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide
CID 16975077
N-[3-(1-hexylbenzimidazol-2-yl)propyl]cyclohexanecarboxamide
CID 18888908
N-[5-(1-ethylbenzimidazol-2-yl)pentyl]cyclohexanecarboxamide
CID 16988943
N-[2-(1-octylbenzimidazol-2-yl)ethyl]cyclopropanecarboxamide
CID 16975148
N-[3-[1-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]cyclohexanecarboxamide
CID 16981601
N-[2-[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]pyridine-3-carboxamide
CID 16964361
N-[2-[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-3-methylbenzamide
CID 16977702
2-[2-(5-acetamidopentyl)benzimidazol-1-yl]-N,N-dipropylacetamide
CID 16987942

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide?
The IUPAC name of N-[2-[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide (CID 16975107) is N-[2-[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[2-[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide?
The canonical SMILES for N-[2-[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide is CCCN(CCC)C(=O)Cn1c(CCNC(=O)C2CCCCC2)nc2ccccc21.
What is the InChIKey of N-[2-[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide?
The InChIKey is QAFAZDYNGXMWEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N4O2/c1-3-16-27(17-4-2)23(29)18-28-21-13-9-8-12-20(21)26-22(28)14-15-25-24(30)19-10-6-5-7-11-19/h8-9,12-13,19H,3-7,10-11,14-18H2,1-2H3,(H,25,30).
What are the key properties of N-[2-[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide?
N-[2-[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide has a molecular weight of 412.58 g/mol, XLogP of 3.92, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide is sourced from PubChem (CID 16975107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).