1-(1-cyclopropylpropan-2-yl)-4-methoxybenzimidazol-2-amine

C14H19N3O — CID 113393056

IUPAC1-(1-cyclopropylpropan-2-yl)-4-methoxybenzimidazol-2-amine
SMILESCOc1cccc2c1nc(N)n2C(C)CC1CC1
InChIInChI=1S/C14H19N3O/c1-9(8-10-6-7-10)17-11-4-3-5-12(18-2)13(11)16-14(17)15/h3-5,9-10H,6-8H2,1-2H3,(H2,15,16)
InChIKeyRKNCOMJHRCUBMJ-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.99
Rot. Bonds4

About 1-(1-cyclopropylpropan-2-yl)-4-methoxybenzimidazol-2-amine

1-(1-cyclopropylpropan-2-yl)-4-methoxybenzimidazol-2-amine (PubChem CID 113393056) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 1-(1-cyclopropylpropan-2-yl)-4-methoxybenzimidazol-2-amine.

Molecular Properties

Compound Name1-(1-cyclopropylpropan-2-yl)-4-methoxybenzimidazol-2-amine
PubChem CID113393056
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name1-(1-cyclopropylpropan-2-yl)-4-methoxybenzimidazol-2-amine
SMILESCOc1cccc2c1nc(N)n2C(C)CC1CC1
InChIInChI=1S/C14H19N3O/c1-9(8-10-6-7-10)17-11-4-3-5-12(18-2)13(11)16-14(17)15/h3-5,9-10H,6-8H2,1-2H3,(H2,15,16)
InChIKeyRKNCOMJHRCUBMJ-UHFFFAOYSA-N
XLogP2.99
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopropylpropan-2-yl)-4-methoxybenzimidazol-2-amine?
The IUPAC name of 1-(1-cyclopropylpropan-2-yl)-4-methoxybenzimidazol-2-amine (CID 113393056) is 1-(1-cyclopropylpropan-2-yl)-4-methoxybenzimidazol-2-amine.
What is the SMILES notation for 1-(1-cyclopropylpropan-2-yl)-4-methoxybenzimidazol-2-amine?
The canonical SMILES for 1-(1-cyclopropylpropan-2-yl)-4-methoxybenzimidazol-2-amine is COc1cccc2c1nc(N)n2C(C)CC1CC1.
What is the InChIKey of 1-(1-cyclopropylpropan-2-yl)-4-methoxybenzimidazol-2-amine?
The InChIKey is RKNCOMJHRCUBMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-9(8-10-6-7-10)17-11-4-3-5-12(18-2)13(11)16-14(17)15/h3-5,9-10H,6-8H2,1-2H3,(H2,15,16).
What are the key properties of 1-(1-cyclopropylpropan-2-yl)-4-methoxybenzimidazol-2-amine?
1-(1-cyclopropylpropan-2-yl)-4-methoxybenzimidazol-2-amine has a molecular weight of 245.33 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopropylpropan-2-yl)-4-methoxybenzimidazol-2-amine is sourced from PubChem (CID 113393056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).