1-[[1-[(5-chloro-2-pyridinyl)methyl]benzimidazol-2-yl]amino]propan-2-ol

C16H17ClN4O — CID 75478647

IUPAC1-[[1-[(5-chloro-2-pyridinyl)methyl]benzimidazol-2-yl]amino]propan-2-ol
SMILESCC(O)CNc1nc2ccccc2n1Cc1ccc(Cl)cn1
InChIInChI=1S/C16H17ClN4O/c1-11(22)8-19-16-20-14-4-2-3-5-15(14)21(16)10-13-7-6-12(17)9-18-13/h2-7,9,11,22H,8,10H2,1H3,(H,19,20)
InChIKeyWMJVERBBNSYCFH-UHFFFAOYSA-N
MW316.79 g/mol
LogP2.93
Rot. Bonds5

About 1-[[1-[(5-chloro-2-pyridinyl)methyl]benzimidazol-2-yl]amino]propan-2-ol

1-[[1-[(5-chloro-2-pyridinyl)methyl]benzimidazol-2-yl]amino]propan-2-ol (PubChem CID 75478647) has the molecular formula C16H17ClN4O and a molecular weight of 316.79 g/mol. Its IUPAC name is 1-[[1-[(5-chloro-2-pyridinyl)methyl]benzimidazol-2-yl]amino]propan-2-ol.

Molecular Properties

Compound Name1-[[1-[(5-chloro-2-pyridinyl)methyl]benzimidazol-2-yl]amino]propan-2-ol
PubChem CID75478647
Molecular FormulaC16H17ClN4O
Molecular Weight316.79 g/mol
Exact Mass316.11
IUPAC Name1-[[1-[(5-chloro-2-pyridinyl)methyl]benzimidazol-2-yl]amino]propan-2-ol
SMILESCC(O)CNc1nc2ccccc2n1Cc1ccc(Cl)cn1
InChIInChI=1S/C16H17ClN4O/c1-11(22)8-19-16-20-14-4-2-3-5-15(14)21(16)10-13-7-6-12(17)9-18-13/h2-7,9,11,22H,8,10H2,1H3,(H,19,20)
InChIKeyWMJVERBBNSYCFH-UHFFFAOYSA-N
XLogP2.93
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.79
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 71968759
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CID 94140396
methyl 5-[[2-(2-hydroxypropylamino)benzimidazol-1-yl]methyl]thiophene-2-carboxylate
CID 71854201
2-[2-(2-hydroxypropylamino)benzimidazol-1-yl]-N-pentan-3-ylacetamide
CID 42971097
1-[[1-[[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]methyl]benzimidazol-2-yl]amino]propan-2-ol
CID 111523534
1-[(4-chlorophenyl)methyl]-N-ethylbenzimidazol-2-amine
CID 82359547
1-[[1-(3-propan-2-ylsulfonylpropyl)benzimidazol-2-yl]amino]propan-2-ol
CID 71920348
N-benzyl-2-[2-(2-hydroxypropylamino)benzimidazol-1-yl]acetamide
CID 46796492
N-(3,4-difluorophenyl)-2-[2-(2-hydroxypropylamino)benzimidazol-1-yl]acetamide
CID 42904076
2-[2-[[(2S)-2-hydroxypropyl]amino]benzimidazol-1-yl]-N-(2-methylsulfanylphenyl)acetamide
CID 7024444
2-[2-(2-hydroxypropylamino)benzimidazol-1-yl]-N-(2-methylsulfanylphenyl)acetamide
CID 5187497
N-[(4-fluorophenyl)methyl]-2-[2-[[(2S)-2-hydroxypropyl]amino]benzimidazol-1-yl]acetamide
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Frequently Asked Questions

What is the IUPAC name of 1-[[1-[(5-chloro-2-pyridinyl)methyl]benzimidazol-2-yl]amino]propan-2-ol?
The IUPAC name of 1-[[1-[(5-chloro-2-pyridinyl)methyl]benzimidazol-2-yl]amino]propan-2-ol (CID 75478647) is 1-[[1-[(5-chloro-2-pyridinyl)methyl]benzimidazol-2-yl]amino]propan-2-ol.
What is the SMILES notation for 1-[[1-[(5-chloro-2-pyridinyl)methyl]benzimidazol-2-yl]amino]propan-2-ol?
The canonical SMILES for 1-[[1-[(5-chloro-2-pyridinyl)methyl]benzimidazol-2-yl]amino]propan-2-ol is CC(O)CNc1nc2ccccc2n1Cc1ccc(Cl)cn1.
What is the InChIKey of 1-[[1-[(5-chloro-2-pyridinyl)methyl]benzimidazol-2-yl]amino]propan-2-ol?
The InChIKey is WMJVERBBNSYCFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN4O/c1-11(22)8-19-16-20-14-4-2-3-5-15(14)21(16)10-13-7-6-12(17)9-18-13/h2-7,9,11,22H,8,10H2,1H3,(H,19,20).
What are the key properties of 1-[[1-[(5-chloro-2-pyridinyl)methyl]benzimidazol-2-yl]amino]propan-2-ol?
1-[[1-[(5-chloro-2-pyridinyl)methyl]benzimidazol-2-yl]amino]propan-2-ol has a molecular weight of 316.79 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-[(5-chloro-2-pyridinyl)methyl]benzimidazol-2-yl]amino]propan-2-ol is sourced from PubChem (CID 75478647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).