1-(1-benzylbenzimidazol-2-yl)-4-methylpentan-2-amine

C20H25N3 — CID 175232224

IUPAC1-(1-benzylbenzimidazol-2-yl)-4-methylpentan-2-amine
SMILESCC(C)CC(N)Cc1nc2ccccc2n1Cc1ccccc1
InChIInChI=1S/C20H25N3/c1-15(2)12-17(21)13-20-22-18-10-6-7-11-19(18)23(20)14-16-8-4-3-5-9-16/h3-11,15,17H,12-14,21H2,1-2H3
InChIKeyDXSYAYGAUGAOLT-UHFFFAOYSA-N
MW307.44 g/mol
LogP4.00
Rot. Bonds6

About 1-(1-benzylbenzimidazol-2-yl)-4-methylpentan-2-amine

1-(1-benzylbenzimidazol-2-yl)-4-methylpentan-2-amine (PubChem CID 175232224) has the molecular formula C20H25N3 and a molecular weight of 307.44 g/mol. Its IUPAC name is 1-(1-benzylbenzimidazol-2-yl)-4-methylpentan-2-amine.

Molecular Properties

Compound Name1-(1-benzylbenzimidazol-2-yl)-4-methylpentan-2-amine
PubChem CID175232224
Molecular FormulaC20H25N3
Molecular Weight307.44 g/mol
Exact Mass307.20
IUPAC Name1-(1-benzylbenzimidazol-2-yl)-4-methylpentan-2-amine
SMILESCC(C)CC(N)Cc1nc2ccccc2n1Cc1ccccc1
InChIInChI=1S/C20H25N3/c1-15(2)12-17(21)13-20-22-18-10-6-7-11-19(18)23(20)14-16-8-4-3-5-9-16/h3-11,15,17H,12-14,21H2,1-2H3
InChIKeyDXSYAYGAUGAOLT-UHFFFAOYSA-N
XLogP4.00
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzylbenzimidazol-2-yl)-4-methylpentan-2-amine?
The IUPAC name of 1-(1-benzylbenzimidazol-2-yl)-4-methylpentan-2-amine (CID 175232224) is 1-(1-benzylbenzimidazol-2-yl)-4-methylpentan-2-amine.
What is the SMILES notation for 1-(1-benzylbenzimidazol-2-yl)-4-methylpentan-2-amine?
The canonical SMILES for 1-(1-benzylbenzimidazol-2-yl)-4-methylpentan-2-amine is CC(C)CC(N)Cc1nc2ccccc2n1Cc1ccccc1.
What is the InChIKey of 1-(1-benzylbenzimidazol-2-yl)-4-methylpentan-2-amine?
The InChIKey is DXSYAYGAUGAOLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3/c1-15(2)12-17(21)13-20-22-18-10-6-7-11-19(18)23(20)14-16-8-4-3-5-9-16/h3-11,15,17H,12-14,21H2,1-2H3.
What are the key properties of 1-(1-benzylbenzimidazol-2-yl)-4-methylpentan-2-amine?
1-(1-benzylbenzimidazol-2-yl)-4-methylpentan-2-amine has a molecular weight of 307.44 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzylbenzimidazol-2-yl)-4-methylpentan-2-amine is sourced from PubChem (CID 175232224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).