N-[2-cyclohexyl-6-(diethylamino)-3H-benzimidazol-5-yl]-4-propylbenzamide

C27H36N4O — CID 71738391

IUPACN-[2-cyclohexyl-6-(diethylamino)-3H-benzimidazol-5-yl]-4-propylbenzamide
SMILESCCCc1ccc(C(=O)Nc2cc3[nH]c(C4CCCCC4)nc3cc2N(CC)CC)cc1
InChIInChI=1S/C27H36N4O/c1-4-10-19-13-15-21(16-14-19)27(32)30-24-17-22-23(18-25(24)31(5-2)6-3)29-26(28-22)20-11-8-7-9-12-20/h13-18,20H,4-12H2,1-3H3,(H,28,29)(H,30,32)
InChIKeyWZGBRVGMTRRGAA-UHFFFAOYSA-N
MW432.61 g/mol
LogP6.66
Rot. Bonds8

About N-[2-cyclohexyl-6-(diethylamino)-3H-benzimidazol-5-yl]-4-propylbenzamide

N-[2-cyclohexyl-6-(diethylamino)-3H-benzimidazol-5-yl]-4-propylbenzamide (PubChem CID 71738391) has the molecular formula C27H36N4O and a molecular weight of 432.61 g/mol. Its IUPAC name is N-[2-cyclohexyl-6-(diethylamino)-3H-benzimidazol-5-yl]-4-propylbenzamide.

Molecular Properties

Compound NameN-[2-cyclohexyl-6-(diethylamino)-3H-benzimidazol-5-yl]-4-propylbenzamide
PubChem CID71738391
Molecular FormulaC27H36N4O
Molecular Weight432.61 g/mol
Exact Mass432.29
IUPAC NameN-[2-cyclohexyl-6-(diethylamino)-3H-benzimidazol-5-yl]-4-propylbenzamide
SMILESCCCc1ccc(C(=O)Nc2cc3[nH]c(C4CCCCC4)nc3cc2N(CC)CC)cc1
InChIInChI=1S/C27H36N4O/c1-4-10-19-13-15-21(16-14-19)27(32)30-24-17-22-23(18-25(24)31(5-2)6-3)29-26(28-22)20-11-8-7-9-12-20/h13-18,20H,4-12H2,1-3H3,(H,28,29)(H,30,32)
InChIKeyWZGBRVGMTRRGAA-UHFFFAOYSA-N
XLogP6.66
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.61
LogP ≤ 56.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-cyclohexyl-6-(diethylamino)-3H-benzimidazol-5-yl]-4-propylbenzamide?
The IUPAC name of N-[2-cyclohexyl-6-(diethylamino)-3H-benzimidazol-5-yl]-4-propylbenzamide (CID 71738391) is N-[2-cyclohexyl-6-(diethylamino)-3H-benzimidazol-5-yl]-4-propylbenzamide.
What is the SMILES notation for N-[2-cyclohexyl-6-(diethylamino)-3H-benzimidazol-5-yl]-4-propylbenzamide?
The canonical SMILES for N-[2-cyclohexyl-6-(diethylamino)-3H-benzimidazol-5-yl]-4-propylbenzamide is CCCc1ccc(C(=O)Nc2cc3[nH]c(C4CCCCC4)nc3cc2N(CC)CC)cc1.
What is the InChIKey of N-[2-cyclohexyl-6-(diethylamino)-3H-benzimidazol-5-yl]-4-propylbenzamide?
The InChIKey is WZGBRVGMTRRGAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N4O/c1-4-10-19-13-15-21(16-14-19)27(32)30-24-17-22-23(18-25(24)31(5-2)6-3)29-26(28-22)20-11-8-7-9-12-20/h13-18,20H,4-12H2,1-3H3,(H,28,29)(H,30,32).
What are the key properties of N-[2-cyclohexyl-6-(diethylamino)-3H-benzimidazol-5-yl]-4-propylbenzamide?
N-[2-cyclohexyl-6-(diethylamino)-3H-benzimidazol-5-yl]-4-propylbenzamide has a molecular weight of 432.61 g/mol, XLogP of 6.66, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-cyclohexyl-6-(diethylamino)-3H-benzimidazol-5-yl]-4-propylbenzamide is sourced from PubChem (CID 71738391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).