3-[6-[amino(phenyl)methyl]-1H-benzimidazol-2-yl]propan-1-ol

C17H19N3O — CID 79204636

IUPAC3-[6-[amino(phenyl)methyl]-1H-benzimidazol-2-yl]propan-1-ol
SMILESNC(c1ccccc1)c1ccc2nc(CCCO)[nH]c2c1
InChIInChI=1S/C17H19N3O/c18-17(12-5-2-1-3-6-12)13-8-9-14-15(11-13)20-16(19-14)7-4-10-21/h1-3,5-6,8-9,11,17,21H,4,7,10,18H2,(H,19,20)
InChIKeyRSEKHPSYPQYJFV-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.54
Rot. Bonds5

About 3-[6-[amino(phenyl)methyl]-1H-benzimidazol-2-yl]propan-1-ol

3-[6-[amino(phenyl)methyl]-1H-benzimidazol-2-yl]propan-1-ol (PubChem CID 79204636) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 3-[6-[amino(phenyl)methyl]-1H-benzimidazol-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[6-[amino(phenyl)methyl]-1H-benzimidazol-2-yl]propan-1-ol
PubChem CID79204636
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name3-[6-[amino(phenyl)methyl]-1H-benzimidazol-2-yl]propan-1-ol
SMILESNC(c1ccccc1)c1ccc2nc(CCCO)[nH]c2c1
InChIInChI=1S/C17H19N3O/c18-17(12-5-2-1-3-6-12)13-8-9-14-15(11-13)20-16(19-14)7-4-10-21/h1-3,5-6,8-9,11,17,21H,4,7,10,18H2,(H,19,20)
InChIKeyRSEKHPSYPQYJFV-UHFFFAOYSA-N
XLogP2.54
TPSA74.93 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[6-[amino(phenyl)methyl]-1H-benzimidazol-2-yl]propan-1-ol?
The IUPAC name of 3-[6-[amino(phenyl)methyl]-1H-benzimidazol-2-yl]propan-1-ol (CID 79204636) is 3-[6-[amino(phenyl)methyl]-1H-benzimidazol-2-yl]propan-1-ol.
What is the SMILES notation for 3-[6-[amino(phenyl)methyl]-1H-benzimidazol-2-yl]propan-1-ol?
The canonical SMILES for 3-[6-[amino(phenyl)methyl]-1H-benzimidazol-2-yl]propan-1-ol is NC(c1ccccc1)c1ccc2nc(CCCO)[nH]c2c1.
What is the InChIKey of 3-[6-[amino(phenyl)methyl]-1H-benzimidazol-2-yl]propan-1-ol?
The InChIKey is RSEKHPSYPQYJFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c18-17(12-5-2-1-3-6-12)13-8-9-14-15(11-13)20-16(19-14)7-4-10-21/h1-3,5-6,8-9,11,17,21H,4,7,10,18H2,(H,19,20).
What are the key properties of 3-[6-[amino(phenyl)methyl]-1H-benzimidazol-2-yl]propan-1-ol?
3-[6-[amino(phenyl)methyl]-1H-benzimidazol-2-yl]propan-1-ol has a molecular weight of 281.36 g/mol, XLogP of 2.54, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[amino(phenyl)methyl]-1H-benzimidazol-2-yl]propan-1-ol is sourced from PubChem (CID 79204636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).