[2-[(1-propan-2-ylbenzimidazol-2-yl)methyl]phenyl]methanamine

C18H21N3 — CID 81312674

IUPAC[2-[(1-propan-2-ylbenzimidazol-2-yl)methyl]phenyl]methanamine
SMILESCC(C)n1c(Cc2ccccc2CN)nc2ccccc21
InChIInChI=1S/C18H21N3/c1-13(2)21-17-10-6-5-9-16(17)20-18(21)11-14-7-3-4-8-15(14)12-19/h3-10,13H,11-12,19H2,1-2H3
InChIKeyPUAXESYHDBYJGN-UHFFFAOYSA-N
MW279.39 g/mol
LogP3.67
Rot. Bonds4

About [2-[(1-propan-2-ylbenzimidazol-2-yl)methyl]phenyl]methanamine

[2-[(1-propan-2-ylbenzimidazol-2-yl)methyl]phenyl]methanamine (PubChem CID 81312674) has the molecular formula C18H21N3 and a molecular weight of 279.39 g/mol. Its IUPAC name is [2-[(1-propan-2-ylbenzimidazol-2-yl)methyl]phenyl]methanamine.

Molecular Properties

Compound Name[2-[(1-propan-2-ylbenzimidazol-2-yl)methyl]phenyl]methanamine
PubChem CID81312674
Molecular FormulaC18H21N3
Molecular Weight279.39 g/mol
Exact Mass279.17
IUPAC Name[2-[(1-propan-2-ylbenzimidazol-2-yl)methyl]phenyl]methanamine
SMILESCC(C)n1c(Cc2ccccc2CN)nc2ccccc21
InChIInChI=1S/C18H21N3/c1-13(2)21-17-10-6-5-9-16(17)20-18(21)11-14-7-3-4-8-15(14)12-19/h3-10,13H,11-12,19H2,1-2H3
InChIKeyPUAXESYHDBYJGN-UHFFFAOYSA-N
XLogP3.67
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-[(1-propan-2-ylbenzimidazol-2-yl)methyl]phenyl]methanamine?
The IUPAC name of [2-[(1-propan-2-ylbenzimidazol-2-yl)methyl]phenyl]methanamine (CID 81312674) is [2-[(1-propan-2-ylbenzimidazol-2-yl)methyl]phenyl]methanamine.
What is the SMILES notation for [2-[(1-propan-2-ylbenzimidazol-2-yl)methyl]phenyl]methanamine?
The canonical SMILES for [2-[(1-propan-2-ylbenzimidazol-2-yl)methyl]phenyl]methanamine is CC(C)n1c(Cc2ccccc2CN)nc2ccccc21.
What is the InChIKey of [2-[(1-propan-2-ylbenzimidazol-2-yl)methyl]phenyl]methanamine?
The InChIKey is PUAXESYHDBYJGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3/c1-13(2)21-17-10-6-5-9-16(17)20-18(21)11-14-7-3-4-8-15(14)12-19/h3-10,13H,11-12,19H2,1-2H3.
What are the key properties of [2-[(1-propan-2-ylbenzimidazol-2-yl)methyl]phenyl]methanamine?
[2-[(1-propan-2-ylbenzimidazol-2-yl)methyl]phenyl]methanamine has a molecular weight of 279.39 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(1-propan-2-ylbenzimidazol-2-yl)methyl]phenyl]methanamine is sourced from PubChem (CID 81312674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).