N-(4,5,6,7-tetrahydro-3H-benzimidazol-5-ylmethyl)propan-2-amine

C11H19N3 — CID 165486325

IUPACN-(4,5,6,7-tetrahydro-3H-benzimidazol-5-ylmethyl)propan-2-amine
SMILESCC(C)NCC1CCc2nc[nH]c2C1
InChIInChI=1S/C11H19N3/c1-8(2)12-6-9-3-4-10-11(5-9)14-7-13-10/h7-9,12H,3-6H2,1-2H3,(H,13,14)
InChIKeyXQMHPPGSBSPHAL-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.51
Rot. Bonds3

About N-(4,5,6,7-tetrahydro-3H-benzimidazol-5-ylmethyl)propan-2-amine

N-(4,5,6,7-tetrahydro-3H-benzimidazol-5-ylmethyl)propan-2-amine (PubChem CID 165486325) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is N-(4,5,6,7-tetrahydro-3H-benzimidazol-5-ylmethyl)propan-2-amine.

Molecular Properties

Compound NameN-(4,5,6,7-tetrahydro-3H-benzimidazol-5-ylmethyl)propan-2-amine
PubChem CID165486325
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC NameN-(4,5,6,7-tetrahydro-3H-benzimidazol-5-ylmethyl)propan-2-amine
SMILESCC(C)NCC1CCc2nc[nH]c2C1
InChIInChI=1S/C11H19N3/c1-8(2)12-6-9-3-4-10-11(5-9)14-7-13-10/h7-9,12H,3-6H2,1-2H3,(H,13,14)
InChIKeyXQMHPPGSBSPHAL-UHFFFAOYSA-N
XLogP1.51
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4,5,6,7-tetrahydro-3H-benzimidazol-5-ylmethyl)propan-2-amine?
The IUPAC name of N-(4,5,6,7-tetrahydro-3H-benzimidazol-5-ylmethyl)propan-2-amine (CID 165486325) is N-(4,5,6,7-tetrahydro-3H-benzimidazol-5-ylmethyl)propan-2-amine.
What is the SMILES notation for N-(4,5,6,7-tetrahydro-3H-benzimidazol-5-ylmethyl)propan-2-amine?
The canonical SMILES for N-(4,5,6,7-tetrahydro-3H-benzimidazol-5-ylmethyl)propan-2-amine is CC(C)NCC1CCc2nc[nH]c2C1.
What is the InChIKey of N-(4,5,6,7-tetrahydro-3H-benzimidazol-5-ylmethyl)propan-2-amine?
The InChIKey is XQMHPPGSBSPHAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-8(2)12-6-9-3-4-10-11(5-9)14-7-13-10/h7-9,12H,3-6H2,1-2H3,(H,13,14).
What are the key properties of N-(4,5,6,7-tetrahydro-3H-benzimidazol-5-ylmethyl)propan-2-amine?
N-(4,5,6,7-tetrahydro-3H-benzimidazol-5-ylmethyl)propan-2-amine has a molecular weight of 193.29 g/mol, XLogP of 1.51, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5,6,7-tetrahydro-3H-benzimidazol-5-ylmethyl)propan-2-amine is sourced from PubChem (CID 165486325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).