N-[3-(1H-benzimidazol-2-yl)propyl]-N-methyl-3-phenylpropan-1-amine

C20H25N3 — CID 24731956

IUPACN-[3-(1H-benzimidazol-2-yl)propyl]-N-methyl-3-phenylpropan-1-amine
SMILESCN(CCCc1ccccc1)CCCc1nc2ccccc2[nH]1
InChIInChI=1S/C20H25N3/c1-23(15-7-11-17-9-3-2-4-10-17)16-8-14-20-21-18-12-5-6-13-19(18)22-20/h2-6,9-10,12-13H,7-8,11,14-16H2,1H3,(H,21,22)
InChIKeyNWUJGQIWVDUKNM-UHFFFAOYSA-N
MW307.44 g/mol
LogP4.06
Rot. Bonds8

About N-[3-(1H-benzimidazol-2-yl)propyl]-N-methyl-3-phenylpropan-1-amine

N-[3-(1H-benzimidazol-2-yl)propyl]-N-methyl-3-phenylpropan-1-amine (PubChem CID 24731956) has the molecular formula C20H25N3 and a molecular weight of 307.44 g/mol. Its IUPAC name is N-[3-(1H-benzimidazol-2-yl)propyl]-N-methyl-3-phenylpropan-1-amine.

Molecular Properties

Compound NameN-[3-(1H-benzimidazol-2-yl)propyl]-N-methyl-3-phenylpropan-1-amine
PubChem CID24731956
Molecular FormulaC20H25N3
Molecular Weight307.44 g/mol
Exact Mass307.20
IUPAC NameN-[3-(1H-benzimidazol-2-yl)propyl]-N-methyl-3-phenylpropan-1-amine
SMILESCN(CCCc1ccccc1)CCCc1nc2ccccc2[nH]1
InChIInChI=1S/C20H25N3/c1-23(15-7-11-17-9-3-2-4-10-17)16-8-14-20-21-18-12-5-6-13-19(18)22-20/h2-6,9-10,12-13H,7-8,11,14-16H2,1H3,(H,21,22)
InChIKeyNWUJGQIWVDUKNM-UHFFFAOYSA-N
XLogP4.06
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-benzimidazol-2-yl)propyl]-N-methyl-3-phenylpropan-1-amine?
The IUPAC name of N-[3-(1H-benzimidazol-2-yl)propyl]-N-methyl-3-phenylpropan-1-amine (CID 24731956) is N-[3-(1H-benzimidazol-2-yl)propyl]-N-methyl-3-phenylpropan-1-amine.
What is the SMILES notation for N-[3-(1H-benzimidazol-2-yl)propyl]-N-methyl-3-phenylpropan-1-amine?
The canonical SMILES for N-[3-(1H-benzimidazol-2-yl)propyl]-N-methyl-3-phenylpropan-1-amine is CN(CCCc1ccccc1)CCCc1nc2ccccc2[nH]1.
What is the InChIKey of N-[3-(1H-benzimidazol-2-yl)propyl]-N-methyl-3-phenylpropan-1-amine?
The InChIKey is NWUJGQIWVDUKNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3/c1-23(15-7-11-17-9-3-2-4-10-17)16-8-14-20-21-18-12-5-6-13-19(18)22-20/h2-6,9-10,12-13H,7-8,11,14-16H2,1H3,(H,21,22).
What are the key properties of N-[3-(1H-benzimidazol-2-yl)propyl]-N-methyl-3-phenylpropan-1-amine?
N-[3-(1H-benzimidazol-2-yl)propyl]-N-methyl-3-phenylpropan-1-amine has a molecular weight of 307.44 g/mol, XLogP of 4.06, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-benzimidazol-2-yl)propyl]-N-methyl-3-phenylpropan-1-amine is sourced from PubChem (CID 24731956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).