cyclopentyl-(2-cyclopropyl-1-methylbenzimidazol-5-yl)methanamine

C17H23N3 — CID 82501979

IUPACcyclopentyl-(2-cyclopropyl-1-methylbenzimidazol-5-yl)methanamine
SMILESCn1c(C2CC2)nc2cc(C(N)C3CCCC3)ccc21
InChIInChI=1S/C17H23N3/c1-20-15-9-8-13(16(18)11-4-2-3-5-11)10-14(15)19-17(20)12-6-7-12/h8-12,16H,2-7,18H2,1H3
InChIKeyBDOGDJLVNYAFSM-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.64
Rot. Bonds3

About cyclopentyl-(2-cyclopropyl-1-methylbenzimidazol-5-yl)methanamine

cyclopentyl-(2-cyclopropyl-1-methylbenzimidazol-5-yl)methanamine (PubChem CID 82501979) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is cyclopentyl-(2-cyclopropyl-1-methylbenzimidazol-5-yl)methanamine.

Molecular Properties

Compound Namecyclopentyl-(2-cyclopropyl-1-methylbenzimidazol-5-yl)methanamine
PubChem CID82501979
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Namecyclopentyl-(2-cyclopropyl-1-methylbenzimidazol-5-yl)methanamine
SMILESCn1c(C2CC2)nc2cc(C(N)C3CCCC3)ccc21
InChIInChI=1S/C17H23N3/c1-20-15-9-8-13(16(18)11-4-2-3-5-11)10-14(15)19-17(20)12-6-7-12/h8-12,16H,2-7,18H2,1H3
InChIKeyBDOGDJLVNYAFSM-UHFFFAOYSA-N
XLogP3.64
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclopentyl-(2-cyclopropyl-1-methylbenzimidazol-5-yl)methanamine?
The IUPAC name of cyclopentyl-(2-cyclopropyl-1-methylbenzimidazol-5-yl)methanamine (CID 82501979) is cyclopentyl-(2-cyclopropyl-1-methylbenzimidazol-5-yl)methanamine.
What is the SMILES notation for cyclopentyl-(2-cyclopropyl-1-methylbenzimidazol-5-yl)methanamine?
The canonical SMILES for cyclopentyl-(2-cyclopropyl-1-methylbenzimidazol-5-yl)methanamine is Cn1c(C2CC2)nc2cc(C(N)C3CCCC3)ccc21.
What is the InChIKey of cyclopentyl-(2-cyclopropyl-1-methylbenzimidazol-5-yl)methanamine?
The InChIKey is BDOGDJLVNYAFSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-20-15-9-8-13(16(18)11-4-2-3-5-11)10-14(15)19-17(20)12-6-7-12/h8-12,16H,2-7,18H2,1H3.
What are the key properties of cyclopentyl-(2-cyclopropyl-1-methylbenzimidazol-5-yl)methanamine?
cyclopentyl-(2-cyclopropyl-1-methylbenzimidazol-5-yl)methanamine has a molecular weight of 269.39 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-(2-cyclopropyl-1-methylbenzimidazol-5-yl)methanamine is sourced from PubChem (CID 82501979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).