(1-tert-butylbenzimidazol-2-yl)-cyclopropylmethanamine

C15H21N3 — CID 62696105

IUPAC(1-tert-butylbenzimidazol-2-yl)-cyclopropylmethanamine
SMILESCC(C)(C)n1c(C(N)C2CC2)nc2ccccc21
InChIInChI=1S/C15H21N3/c1-15(2,3)18-12-7-5-4-6-11(12)17-14(18)13(16)10-8-9-10/h4-7,10,13H,8-9,16H2,1-3H3
InChIKeyNBFWWCSAEMJEFX-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.20
Rot. Bonds2

About (1-tert-butylbenzimidazol-2-yl)-cyclopropylmethanamine

(1-tert-butylbenzimidazol-2-yl)-cyclopropylmethanamine (PubChem CID 62696105) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is (1-tert-butylbenzimidazol-2-yl)-cyclopropylmethanamine.

Molecular Properties

Compound Name(1-tert-butylbenzimidazol-2-yl)-cyclopropylmethanamine
PubChem CID62696105
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name(1-tert-butylbenzimidazol-2-yl)-cyclopropylmethanamine
SMILESCC(C)(C)n1c(C(N)C2CC2)nc2ccccc21
InChIInChI=1S/C15H21N3/c1-15(2,3)18-12-7-5-4-6-11(12)17-14(18)13(16)10-8-9-10/h4-7,10,13H,8-9,16H2,1-3H3
InChIKeyNBFWWCSAEMJEFX-UHFFFAOYSA-N
XLogP3.20
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-tert-butylbenzimidazol-2-yl)-cyclopropylmethanamine?
The IUPAC name of (1-tert-butylbenzimidazol-2-yl)-cyclopropylmethanamine (CID 62696105) is (1-tert-butylbenzimidazol-2-yl)-cyclopropylmethanamine.
What is the SMILES notation for (1-tert-butylbenzimidazol-2-yl)-cyclopropylmethanamine?
The canonical SMILES for (1-tert-butylbenzimidazol-2-yl)-cyclopropylmethanamine is CC(C)(C)n1c(C(N)C2CC2)nc2ccccc21.
What is the InChIKey of (1-tert-butylbenzimidazol-2-yl)-cyclopropylmethanamine?
The InChIKey is NBFWWCSAEMJEFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-15(2,3)18-12-7-5-4-6-11(12)17-14(18)13(16)10-8-9-10/h4-7,10,13H,8-9,16H2,1-3H3.
What are the key properties of (1-tert-butylbenzimidazol-2-yl)-cyclopropylmethanamine?
(1-tert-butylbenzimidazol-2-yl)-cyclopropylmethanamine has a molecular weight of 243.35 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-tert-butylbenzimidazol-2-yl)-cyclopropylmethanamine is sourced from PubChem (CID 62696105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).