3-[5-(aminomethyl)-1-tert-butylbenzimidazol-2-yl]propan-1-ol

C15H23N3O — CID 79200194

IUPAC3-[5-(aminomethyl)-1-tert-butylbenzimidazol-2-yl]propan-1-ol
SMILESCC(C)(C)n1c(CCCO)nc2cc(CN)ccc21
InChIInChI=1S/C15H23N3O/c1-15(2,3)18-13-7-6-11(10-16)9-12(13)17-14(18)5-4-8-19/h6-7,9,19H,4-5,8,10,16H2,1-3H3
InChIKeyLPWSDMZDMJKCHB-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.17
Rot. Bonds4

About 3-[5-(aminomethyl)-1-tert-butylbenzimidazol-2-yl]propan-1-ol

3-[5-(aminomethyl)-1-tert-butylbenzimidazol-2-yl]propan-1-ol (PubChem CID 79200194) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 3-[5-(aminomethyl)-1-tert-butylbenzimidazol-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[5-(aminomethyl)-1-tert-butylbenzimidazol-2-yl]propan-1-ol
PubChem CID79200194
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name3-[5-(aminomethyl)-1-tert-butylbenzimidazol-2-yl]propan-1-ol
SMILESCC(C)(C)n1c(CCCO)nc2cc(CN)ccc21
InChIInChI=1S/C15H23N3O/c1-15(2,3)18-13-7-6-11(10-16)9-12(13)17-14(18)5-4-8-19/h6-7,9,19H,4-5,8,10,16H2,1-3H3
InChIKeyLPWSDMZDMJKCHB-UHFFFAOYSA-N
XLogP2.17
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(aminomethyl)-1-tert-butylbenzimidazol-2-yl]propan-1-ol?
The IUPAC name of 3-[5-(aminomethyl)-1-tert-butylbenzimidazol-2-yl]propan-1-ol (CID 79200194) is 3-[5-(aminomethyl)-1-tert-butylbenzimidazol-2-yl]propan-1-ol.
What is the SMILES notation for 3-[5-(aminomethyl)-1-tert-butylbenzimidazol-2-yl]propan-1-ol?
The canonical SMILES for 3-[5-(aminomethyl)-1-tert-butylbenzimidazol-2-yl]propan-1-ol is CC(C)(C)n1c(CCCO)nc2cc(CN)ccc21.
What is the InChIKey of 3-[5-(aminomethyl)-1-tert-butylbenzimidazol-2-yl]propan-1-ol?
The InChIKey is LPWSDMZDMJKCHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-15(2,3)18-13-7-6-11(10-16)9-12(13)17-14(18)5-4-8-19/h6-7,9,19H,4-5,8,10,16H2,1-3H3.
What are the key properties of 3-[5-(aminomethyl)-1-tert-butylbenzimidazol-2-yl]propan-1-ol?
3-[5-(aminomethyl)-1-tert-butylbenzimidazol-2-yl]propan-1-ol has a molecular weight of 261.37 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(aminomethyl)-1-tert-butylbenzimidazol-2-yl]propan-1-ol is sourced from PubChem (CID 79200194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).