1-(1-cyclopropylpyrrolidin-3-yl)-7-methylbenzimidazol-2-amine

C15H20N4 — CID 115552412

IUPAC1-(1-cyclopropylpyrrolidin-3-yl)-7-methylbenzimidazol-2-amine
SMILESCc1cccc2nc(N)n(C3CCN(C4CC4)C3)c12
InChIInChI=1S/C15H20N4/c1-10-3-2-4-13-14(10)19(15(16)17-13)12-7-8-18(9-12)11-5-6-11/h2-4,11-12H,5-9H2,1H3,(H2,16,17)
InChIKeyRIVKVCYHRIZFSK-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.34
Rot. Bonds2

About 1-(1-cyclopropylpyrrolidin-3-yl)-7-methylbenzimidazol-2-amine

1-(1-cyclopropylpyrrolidin-3-yl)-7-methylbenzimidazol-2-amine (PubChem CID 115552412) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-(1-cyclopropylpyrrolidin-3-yl)-7-methylbenzimidazol-2-amine.

Molecular Properties

Compound Name1-(1-cyclopropylpyrrolidin-3-yl)-7-methylbenzimidazol-2-amine
PubChem CID115552412
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC Name1-(1-cyclopropylpyrrolidin-3-yl)-7-methylbenzimidazol-2-amine
SMILESCc1cccc2nc(N)n(C3CCN(C4CC4)C3)c12
InChIInChI=1S/C15H20N4/c1-10-3-2-4-13-14(10)19(15(16)17-13)12-7-8-18(9-12)11-5-6-11/h2-4,11-12H,5-9H2,1H3,(H2,16,17)
InChIKeyRIVKVCYHRIZFSK-UHFFFAOYSA-N
XLogP2.34
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopropylpyrrolidin-3-yl)-7-methylbenzimidazol-2-amine?
The IUPAC name of 1-(1-cyclopropylpyrrolidin-3-yl)-7-methylbenzimidazol-2-amine (CID 115552412) is 1-(1-cyclopropylpyrrolidin-3-yl)-7-methylbenzimidazol-2-amine.
What is the SMILES notation for 1-(1-cyclopropylpyrrolidin-3-yl)-7-methylbenzimidazol-2-amine?
The canonical SMILES for 1-(1-cyclopropylpyrrolidin-3-yl)-7-methylbenzimidazol-2-amine is Cc1cccc2nc(N)n(C3CCN(C4CC4)C3)c12.
What is the InChIKey of 1-(1-cyclopropylpyrrolidin-3-yl)-7-methylbenzimidazol-2-amine?
The InChIKey is RIVKVCYHRIZFSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-10-3-2-4-13-14(10)19(15(16)17-13)12-7-8-18(9-12)11-5-6-11/h2-4,11-12H,5-9H2,1H3,(H2,16,17).
What are the key properties of 1-(1-cyclopropylpyrrolidin-3-yl)-7-methylbenzimidazol-2-amine?
1-(1-cyclopropylpyrrolidin-3-yl)-7-methylbenzimidazol-2-amine has a molecular weight of 256.35 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopropylpyrrolidin-3-yl)-7-methylbenzimidazol-2-amine is sourced from PubChem (CID 115552412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).