2-[4-(aminomethyl)cyclohexyl]-3H-benzimidazol-5-ol

C14H19N3O — CID 81432165

IUPAC2-[4-(aminomethyl)cyclohexyl]-3H-benzimidazol-5-ol
SMILESNCC1CCC(c2nc3ccc(O)cc3[nH]2)CC1
InChIInChI=1S/C14H19N3O/c15-8-9-1-3-10(4-2-9)14-16-12-6-5-11(18)7-13(12)17-14/h5-7,9-10,18H,1-4,8,15H2,(H,16,17)
InChIKeyBPHPIXPBADCLLU-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.50
Rot. Bonds2

About 2-[4-(aminomethyl)cyclohexyl]-3H-benzimidazol-5-ol

2-[4-(aminomethyl)cyclohexyl]-3H-benzimidazol-5-ol (PubChem CID 81432165) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-[4-(aminomethyl)cyclohexyl]-3H-benzimidazol-5-ol.

Molecular Properties

Compound Name2-[4-(aminomethyl)cyclohexyl]-3H-benzimidazol-5-ol
PubChem CID81432165
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name2-[4-(aminomethyl)cyclohexyl]-3H-benzimidazol-5-ol
SMILESNCC1CCC(c2nc3ccc(O)cc3[nH]2)CC1
InChIInChI=1S/C14H19N3O/c15-8-9-1-3-10(4-2-9)14-16-12-6-5-11(18)7-13(12)17-14/h5-7,9-10,18H,1-4,8,15H2,(H,16,17)
InChIKeyBPHPIXPBADCLLU-UHFFFAOYSA-N
XLogP2.50
TPSA74.93 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)cyclohexyl]-3H-benzimidazol-5-ol?
The IUPAC name of 2-[4-(aminomethyl)cyclohexyl]-3H-benzimidazol-5-ol (CID 81432165) is 2-[4-(aminomethyl)cyclohexyl]-3H-benzimidazol-5-ol.
What is the SMILES notation for 2-[4-(aminomethyl)cyclohexyl]-3H-benzimidazol-5-ol?
The canonical SMILES for 2-[4-(aminomethyl)cyclohexyl]-3H-benzimidazol-5-ol is NCC1CCC(c2nc3ccc(O)cc3[nH]2)CC1.
What is the InChIKey of 2-[4-(aminomethyl)cyclohexyl]-3H-benzimidazol-5-ol?
The InChIKey is BPHPIXPBADCLLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c15-8-9-1-3-10(4-2-9)14-16-12-6-5-11(18)7-13(12)17-14/h5-7,9-10,18H,1-4,8,15H2,(H,16,17).
What are the key properties of 2-[4-(aminomethyl)cyclohexyl]-3H-benzimidazol-5-ol?
2-[4-(aminomethyl)cyclohexyl]-3H-benzimidazol-5-ol has a molecular weight of 245.33 g/mol, XLogP of 2.50, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)cyclohexyl]-3H-benzimidazol-5-ol is sourced from PubChem (CID 81432165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).