N-(1-cyclohexylbenzimidazol-5-yl)adamantane-1-carboxamide

C24H31N3O — CID 2973999

IUPACN-(1-cyclohexylbenzimidazol-5-yl)adamantane-1-carboxamide
SMILESO=C(Nc1ccc2c(c1)ncn2C1CCCCC1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C24H31N3O/c28-23(24-12-16-8-17(13-24)10-18(9-16)14-24)26-19-6-7-22-21(11-19)25-15-27(22)20-4-2-1-3-5-20/h6-7,11,15-18,20H,1-5,8-10,12-14H2,(H,26,28)
InChIKeyNTGBLFHZAKCNJI-UHFFFAOYSA-N
MW377.53 g/mol
LogP5.70
Rot. Bonds3

About N-(1-cyclohexylbenzimidazol-5-yl)adamantane-1-carboxamide

N-(1-cyclohexylbenzimidazol-5-yl)adamantane-1-carboxamide (PubChem CID 2973999) has the molecular formula C24H31N3O and a molecular weight of 377.53 g/mol. Its IUPAC name is N-(1-cyclohexylbenzimidazol-5-yl)adamantane-1-carboxamide.

Molecular Properties

Compound NameN-(1-cyclohexylbenzimidazol-5-yl)adamantane-1-carboxamide
PubChem CID2973999
Molecular FormulaC24H31N3O
Molecular Weight377.53 g/mol
Exact Mass377.25
IUPAC NameN-(1-cyclohexylbenzimidazol-5-yl)adamantane-1-carboxamide
SMILESO=C(Nc1ccc2c(c1)ncn2C1CCCCC1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C24H31N3O/c28-23(24-12-16-8-17(13-24)10-18(9-16)14-24)26-19-6-7-22-21(11-19)25-15-27(22)20-4-2-1-3-5-20/h6-7,11,15-18,20H,1-5,8-10,12-14H2,(H,26,28)
InChIKeyNTGBLFHZAKCNJI-UHFFFAOYSA-N
XLogP5.70
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.53
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclohexylbenzimidazol-5-yl)adamantane-1-carboxamide?
The IUPAC name of N-(1-cyclohexylbenzimidazol-5-yl)adamantane-1-carboxamide (CID 2973999) is N-(1-cyclohexylbenzimidazol-5-yl)adamantane-1-carboxamide.
What is the SMILES notation for N-(1-cyclohexylbenzimidazol-5-yl)adamantane-1-carboxamide?
The canonical SMILES for N-(1-cyclohexylbenzimidazol-5-yl)adamantane-1-carboxamide is O=C(Nc1ccc2c(c1)ncn2C1CCCCC1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1-cyclohexylbenzimidazol-5-yl)adamantane-1-carboxamide?
The InChIKey is NTGBLFHZAKCNJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O/c28-23(24-12-16-8-17(13-24)10-18(9-16)14-24)26-19-6-7-22-21(11-19)25-15-27(22)20-4-2-1-3-5-20/h6-7,11,15-18,20H,1-5,8-10,12-14H2,(H,26,28).
What are the key properties of N-(1-cyclohexylbenzimidazol-5-yl)adamantane-1-carboxamide?
N-(1-cyclohexylbenzimidazol-5-yl)adamantane-1-carboxamide has a molecular weight of 377.53 g/mol, XLogP of 5.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclohexylbenzimidazol-5-yl)adamantane-1-carboxamide is sourced from PubChem (CID 2973999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).