1-amino-1-(7-chloro-1-cyclopropylbenzimidazol-2-yl)propan-2-ol

C13H16ClN3O — CID 60787763

IUPAC1-amino-1-(7-chloro-1-cyclopropylbenzimidazol-2-yl)propan-2-ol
SMILESCC(O)C(N)c1nc2cccc(Cl)c2n1C1CC1
InChIInChI=1S/C13H16ClN3O/c1-7(18)11(15)13-16-10-4-2-3-9(14)12(10)17(13)8-5-6-8/h2-4,7-8,11,18H,5-6,15H2,1H3
InChIKeyGSTBNGNUIPKHAT-UHFFFAOYSA-N
MW265.74 g/mol
LogP2.41
Rot. Bonds3

About 1-amino-1-(7-chloro-1-cyclopropylbenzimidazol-2-yl)propan-2-ol

1-amino-1-(7-chloro-1-cyclopropylbenzimidazol-2-yl)propan-2-ol (PubChem CID 60787763) has the molecular formula C13H16ClN3O and a molecular weight of 265.74 g/mol. Its IUPAC name is 1-amino-1-(7-chloro-1-cyclopropylbenzimidazol-2-yl)propan-2-ol.

Molecular Properties

Compound Name1-amino-1-(7-chloro-1-cyclopropylbenzimidazol-2-yl)propan-2-ol
PubChem CID60787763
Molecular FormulaC13H16ClN3O
Molecular Weight265.74 g/mol
Exact Mass265.10
IUPAC Name1-amino-1-(7-chloro-1-cyclopropylbenzimidazol-2-yl)propan-2-ol
SMILESCC(O)C(N)c1nc2cccc(Cl)c2n1C1CC1
InChIInChI=1S/C13H16ClN3O/c1-7(18)11(15)13-16-10-4-2-3-9(14)12(10)17(13)8-5-6-8/h2-4,7-8,11,18H,5-6,15H2,1H3
InChIKeyGSTBNGNUIPKHAT-UHFFFAOYSA-N
XLogP2.41
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-(7-chloro-1-cyclopropylbenzimidazol-2-yl)ethanamine
CID 83868081
7-chloro-2-(1-chloroethyl)-1-cyclopropylbenzimidazole
CID 43666432
1-(7-chloro-1-cyclopropylbenzimidazol-2-yl)-2,2-dimethylpropan-1-amine
CID 54920072
3-(7-chloro-1-cyclopropylbenzimidazol-2-yl)-2-methylbutanoic acid
CID 103499872
7-chloro-2-(1-chloroethyl)-1-cycloheptylbenzimidazole
CID 43667424
2-(7-chloro-1-cyclopropylbenzimidazol-2-yl)-2-methoxyethanamine
CID 114144451
7-chloro-1-cyclopropyl-2-(diethoxymethyl)benzimidazole
CID 63770797
1-(1-cyclopropyl-7-fluorobenzimidazol-2-yl)ethanamine
CID 67447528
1-amino-1-(5-bromo-1-cyclopropylbenzimidazol-2-yl)propan-2-ol
CID 54920296
7-chloro-2-(1-chloroethyl)-1-(2-methylcyclohexyl)benzimidazole
CID 43666575
(7-chloro-1-propan-2-ylbenzimidazol-2-yl)-cyclopropylmethanamine
CID 55108333
7-chloro-1-cyclopentylbenzimidazol-2-amine
CID 43661582

Frequently Asked Questions

What is the IUPAC name of 1-amino-1-(7-chloro-1-cyclopropylbenzimidazol-2-yl)propan-2-ol?
The IUPAC name of 1-amino-1-(7-chloro-1-cyclopropylbenzimidazol-2-yl)propan-2-ol (CID 60787763) is 1-amino-1-(7-chloro-1-cyclopropylbenzimidazol-2-yl)propan-2-ol.
What is the SMILES notation for 1-amino-1-(7-chloro-1-cyclopropylbenzimidazol-2-yl)propan-2-ol?
The canonical SMILES for 1-amino-1-(7-chloro-1-cyclopropylbenzimidazol-2-yl)propan-2-ol is CC(O)C(N)c1nc2cccc(Cl)c2n1C1CC1.
What is the InChIKey of 1-amino-1-(7-chloro-1-cyclopropylbenzimidazol-2-yl)propan-2-ol?
The InChIKey is GSTBNGNUIPKHAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O/c1-7(18)11(15)13-16-10-4-2-3-9(14)12(10)17(13)8-5-6-8/h2-4,7-8,11,18H,5-6,15H2,1H3.
What are the key properties of 1-amino-1-(7-chloro-1-cyclopropylbenzimidazol-2-yl)propan-2-ol?
1-amino-1-(7-chloro-1-cyclopropylbenzimidazol-2-yl)propan-2-ol has a molecular weight of 265.74 g/mol, XLogP of 2.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-1-(7-chloro-1-cyclopropylbenzimidazol-2-yl)propan-2-ol is sourced from PubChem (CID 60787763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).