N-cyclohexyl-4-(5-methoxy-2-naphthalen-2-ylbenzimidazol-1-yl)pyrimidin-2-amine

C28H27N5O — CID 71583987

IUPACN-cyclohexyl-4-(5-methoxy-2-naphthalen-2-ylbenzimidazol-1-yl)pyrimidin-2-amine
SMILESCOc1ccc2c(c1)nc(-c1ccc3ccccc3c1)n2-c1ccnc(NC2CCCCC2)n1
InChIInChI=1S/C28H27N5O/c1-34-23-13-14-25-24(18-23)31-27(21-12-11-19-7-5-6-8-20(19)17-21)33(25)26-15-16-29-28(32-26)30-22-9-3-2-4-10-22/h5-8,11-18,22H,2-4,9-10H2,1H3,(H,29,30,32)
InChIKeyBLYQNHCDMISTOE-UHFFFAOYSA-N
MW449.56 g/mol
LogP6.39
Rot. Bonds5

About N-cyclohexyl-4-(5-methoxy-2-naphthalen-2-ylbenzimidazol-1-yl)pyrimidin-2-amine

N-cyclohexyl-4-(5-methoxy-2-naphthalen-2-ylbenzimidazol-1-yl)pyrimidin-2-amine (PubChem CID 71583987) has the molecular formula C28H27N5O and a molecular weight of 449.56 g/mol. Its IUPAC name is N-cyclohexyl-4-(5-methoxy-2-naphthalen-2-ylbenzimidazol-1-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-cyclohexyl-4-(5-methoxy-2-naphthalen-2-ylbenzimidazol-1-yl)pyrimidin-2-amine
PubChem CID71583987
Molecular FormulaC28H27N5O
Molecular Weight449.56 g/mol
Exact Mass449.22
IUPAC NameN-cyclohexyl-4-(5-methoxy-2-naphthalen-2-ylbenzimidazol-1-yl)pyrimidin-2-amine
SMILESCOc1ccc2c(c1)nc(-c1ccc3ccccc3c1)n2-c1ccnc(NC2CCCCC2)n1
InChIInChI=1S/C28H27N5O/c1-34-23-13-14-25-24(18-23)31-27(21-12-11-19-7-5-6-8-20(19)17-21)33(25)26-15-16-29-28(32-26)30-22-9-3-2-4-10-22/h5-8,11-18,22H,2-4,9-10H2,1H3,(H,29,30,32)
InChIKeyBLYQNHCDMISTOE-UHFFFAOYSA-N
XLogP6.39
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.56
LogP ≤ 56.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-(5-methoxy-2-naphthalen-2-ylbenzimidazol-1-yl)pyrimidin-2-amine?
The IUPAC name of N-cyclohexyl-4-(5-methoxy-2-naphthalen-2-ylbenzimidazol-1-yl)pyrimidin-2-amine (CID 71583987) is N-cyclohexyl-4-(5-methoxy-2-naphthalen-2-ylbenzimidazol-1-yl)pyrimidin-2-amine.
What is the SMILES notation for N-cyclohexyl-4-(5-methoxy-2-naphthalen-2-ylbenzimidazol-1-yl)pyrimidin-2-amine?
The canonical SMILES for N-cyclohexyl-4-(5-methoxy-2-naphthalen-2-ylbenzimidazol-1-yl)pyrimidin-2-amine is COc1ccc2c(c1)nc(-c1ccc3ccccc3c1)n2-c1ccnc(NC2CCCCC2)n1.
What is the InChIKey of N-cyclohexyl-4-(5-methoxy-2-naphthalen-2-ylbenzimidazol-1-yl)pyrimidin-2-amine?
The InChIKey is BLYQNHCDMISTOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N5O/c1-34-23-13-14-25-24(18-23)31-27(21-12-11-19-7-5-6-8-20(19)17-21)33(25)26-15-16-29-28(32-26)30-22-9-3-2-4-10-22/h5-8,11-18,22H,2-4,9-10H2,1H3,(H,29,30,32).
What are the key properties of N-cyclohexyl-4-(5-methoxy-2-naphthalen-2-ylbenzimidazol-1-yl)pyrimidin-2-amine?
N-cyclohexyl-4-(5-methoxy-2-naphthalen-2-ylbenzimidazol-1-yl)pyrimidin-2-amine has a molecular weight of 449.56 g/mol, XLogP of 6.39, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-(5-methoxy-2-naphthalen-2-ylbenzimidazol-1-yl)pyrimidin-2-amine is sourced from PubChem (CID 71583987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).