(5-methyl-1-propan-2-ylbenzimidazol-2-yl)methanamine

C12H17N3 — CID 60784993

IUPAC(5-methyl-1-propan-2-ylbenzimidazol-2-yl)methanamine
SMILESCc1ccc2c(c1)nc(CN)n2C(C)C
InChIInChI=1S/C12H17N3/c1-8(2)15-11-5-4-9(3)6-10(11)14-12(15)7-13/h4-6,8H,7,13H2,1-3H3
InChIKeyFKSRZZBTWTZJRP-UHFFFAOYSA-N
MW203.29 g/mol
LogP2.38
Rot. Bonds2

About (5-methyl-1-propan-2-ylbenzimidazol-2-yl)methanamine

(5-methyl-1-propan-2-ylbenzimidazol-2-yl)methanamine (PubChem CID 60784993) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is (5-methyl-1-propan-2-ylbenzimidazol-2-yl)methanamine.

Molecular Properties

Compound Name(5-methyl-1-propan-2-ylbenzimidazol-2-yl)methanamine
PubChem CID60784993
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC Name(5-methyl-1-propan-2-ylbenzimidazol-2-yl)methanamine
SMILESCc1ccc2c(c1)nc(CN)n2C(C)C
InChIInChI=1S/C12H17N3/c1-8(2)15-11-5-4-9(3)6-10(11)14-12(15)7-13/h4-6,8H,7,13H2,1-3H3
InChIKeyFKSRZZBTWTZJRP-UHFFFAOYSA-N
XLogP2.38
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-methyl-1-propan-2-ylbenzimidazol-2-yl)methanamine?
The IUPAC name of (5-methyl-1-propan-2-ylbenzimidazol-2-yl)methanamine (CID 60784993) is (5-methyl-1-propan-2-ylbenzimidazol-2-yl)methanamine.
What is the SMILES notation for (5-methyl-1-propan-2-ylbenzimidazol-2-yl)methanamine?
The canonical SMILES for (5-methyl-1-propan-2-ylbenzimidazol-2-yl)methanamine is Cc1ccc2c(c1)nc(CN)n2C(C)C.
What is the InChIKey of (5-methyl-1-propan-2-ylbenzimidazol-2-yl)methanamine?
The InChIKey is FKSRZZBTWTZJRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3/c1-8(2)15-11-5-4-9(3)6-10(11)14-12(15)7-13/h4-6,8H,7,13H2,1-3H3.
What are the key properties of (5-methyl-1-propan-2-ylbenzimidazol-2-yl)methanamine?
(5-methyl-1-propan-2-ylbenzimidazol-2-yl)methanamine has a molecular weight of 203.29 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1-propan-2-ylbenzimidazol-2-yl)methanamine is sourced from PubChem (CID 60784993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).