1-(4-methoxyphenyl)-N-methyl-N-[(4-propan-2-ylphenyl)methyl]benzimidazol-5-amine

C25H27N3O — CID 66794200

IUPAC1-(4-methoxyphenyl)-N-methyl-N-[(4-propan-2-ylphenyl)methyl]benzimidazol-5-amine
SMILESCOc1ccc(-n2cnc3cc(N(C)Cc4ccc(C(C)C)cc4)ccc32)cc1
InChIInChI=1S/C25H27N3O/c1-18(2)20-7-5-19(6-8-20)16-27(3)22-11-14-25-24(15-22)26-17-28(25)21-9-12-23(29-4)13-10-21/h5-15,17-18H,16H2,1-4H3
InChIKeyRSWBAJDUHXONLP-UHFFFAOYSA-N
MW385.51 g/mol
LogP5.79
Rot. Bonds6

About 1-(4-methoxyphenyl)-N-methyl-N-[(4-propan-2-ylphenyl)methyl]benzimidazol-5-amine

1-(4-methoxyphenyl)-N-methyl-N-[(4-propan-2-ylphenyl)methyl]benzimidazol-5-amine (PubChem CID 66794200) has the molecular formula C25H27N3O and a molecular weight of 385.51 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-N-methyl-N-[(4-propan-2-ylphenyl)methyl]benzimidazol-5-amine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-N-methyl-N-[(4-propan-2-ylphenyl)methyl]benzimidazol-5-amine
PubChem CID66794200
Molecular FormulaC25H27N3O
Molecular Weight385.51 g/mol
Exact Mass385.22
IUPAC Name1-(4-methoxyphenyl)-N-methyl-N-[(4-propan-2-ylphenyl)methyl]benzimidazol-5-amine
SMILESCOc1ccc(-n2cnc3cc(N(C)Cc4ccc(C(C)C)cc4)ccc32)cc1
InChIInChI=1S/C25H27N3O/c1-18(2)20-7-5-19(6-8-20)16-27(3)22-11-14-25-24(15-22)26-17-28(25)21-9-12-23(29-4)13-10-21/h5-15,17-18H,16H2,1-4H3
InChIKeyRSWBAJDUHXONLP-UHFFFAOYSA-N
XLogP5.79
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.51
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-N-methyl-N-[(4-propan-2-ylphenyl)methyl]benzimidazol-5-amine?
The IUPAC name of 1-(4-methoxyphenyl)-N-methyl-N-[(4-propan-2-ylphenyl)methyl]benzimidazol-5-amine (CID 66794200) is 1-(4-methoxyphenyl)-N-methyl-N-[(4-propan-2-ylphenyl)methyl]benzimidazol-5-amine.
What is the SMILES notation for 1-(4-methoxyphenyl)-N-methyl-N-[(4-propan-2-ylphenyl)methyl]benzimidazol-5-amine?
The canonical SMILES for 1-(4-methoxyphenyl)-N-methyl-N-[(4-propan-2-ylphenyl)methyl]benzimidazol-5-amine is COc1ccc(-n2cnc3cc(N(C)Cc4ccc(C(C)C)cc4)ccc32)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-N-methyl-N-[(4-propan-2-ylphenyl)methyl]benzimidazol-5-amine?
The InChIKey is RSWBAJDUHXONLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O/c1-18(2)20-7-5-19(6-8-20)16-27(3)22-11-14-25-24(15-22)26-17-28(25)21-9-12-23(29-4)13-10-21/h5-15,17-18H,16H2,1-4H3.
What are the key properties of 1-(4-methoxyphenyl)-N-methyl-N-[(4-propan-2-ylphenyl)methyl]benzimidazol-5-amine?
1-(4-methoxyphenyl)-N-methyl-N-[(4-propan-2-ylphenyl)methyl]benzimidazol-5-amine has a molecular weight of 385.51 g/mol, XLogP of 5.79, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-N-methyl-N-[(4-propan-2-ylphenyl)methyl]benzimidazol-5-amine is sourced from PubChem (CID 66794200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).