2-amino-2-(6-chloro-1-cyclopropylbenzimidazol-2-yl)ethanol

C12H14ClN3O — CID 113316662

IUPAC2-amino-2-(6-chloro-1-cyclopropylbenzimidazol-2-yl)ethanol
SMILESNC(CO)c1nc2ccc(Cl)cc2n1C1CC1
InChIInChI=1S/C12H14ClN3O/c13-7-1-4-10-11(5-7)16(8-2-3-8)12(15-10)9(14)6-17/h1,4-5,8-9,17H,2-3,6,14H2
InChIKeyIMFSGVFKGDFRCY-UHFFFAOYSA-N
MW251.72 g/mol
LogP2.02
Rot. Bonds3

About 2-amino-2-(6-chloro-1-cyclopropylbenzimidazol-2-yl)ethanol

2-amino-2-(6-chloro-1-cyclopropylbenzimidazol-2-yl)ethanol (PubChem CID 113316662) has the molecular formula C12H14ClN3O and a molecular weight of 251.72 g/mol. Its IUPAC name is 2-amino-2-(6-chloro-1-cyclopropylbenzimidazol-2-yl)ethanol.

Molecular Properties

Compound Name2-amino-2-(6-chloro-1-cyclopropylbenzimidazol-2-yl)ethanol
PubChem CID113316662
Molecular FormulaC12H14ClN3O
Molecular Weight251.72 g/mol
Exact Mass251.08
IUPAC Name2-amino-2-(6-chloro-1-cyclopropylbenzimidazol-2-yl)ethanol
SMILESNC(CO)c1nc2ccc(Cl)cc2n1C1CC1
InChIInChI=1S/C12H14ClN3O/c13-7-1-4-10-11(5-7)16(8-2-3-8)12(15-10)9(14)6-17/h1,4-5,8-9,17H,2-3,6,14H2
InChIKeyIMFSGVFKGDFRCY-UHFFFAOYSA-N
XLogP2.02
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.72
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(6-chloro-1-cyclopropylbenzimidazol-2-yl)-3-methylbutan-1-amine
CID 115473211
3-amino-1-(6-chloro-1-cyclopropylbenzimidazol-2-yl)propan-1-ol
CID 114006759
6-chloro-2-(1-chloroethyl)-1-cyclopropylbenzimidazole
CID 115470825
2-amino-2-(5-bromo-1-cyclopropylbenzimidazol-2-yl)ethanol
CID 60783807
1-(6-chloro-1-cyclopropylbenzimidazol-2-yl)-N-methylethanamine
CID 113316669
(6-chloro-1-cyclopropylbenzimidazol-2-yl)-(1-methylpyrazol-4-yl)methanamine
CID 115473271
6-chloro-2-(1-chloroethyl)-1-cyclobutylbenzimidazole
CID 115471442
(6-chloro-1-methylbenzimidazol-2-yl)-cyclopropylmethanamine
CID 115472454
6-chloro-2-(chloromethyl)-1-cyclopentylbenzimidazole
CID 115470830
1-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)pentan-1-amine
CID 62376750
2-[(6-chloro-1-cyclopropylbenzimidazol-2-yl)methyl]butan-1-amine
CID 115473342
3-(6-chloro-1-cyclopropylbenzimidazol-2-yl)cyclopentan-1-amine
CID 115473273

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(6-chloro-1-cyclopropylbenzimidazol-2-yl)ethanol?
The IUPAC name of 2-amino-2-(6-chloro-1-cyclopropylbenzimidazol-2-yl)ethanol (CID 113316662) is 2-amino-2-(6-chloro-1-cyclopropylbenzimidazol-2-yl)ethanol.
What is the SMILES notation for 2-amino-2-(6-chloro-1-cyclopropylbenzimidazol-2-yl)ethanol?
The canonical SMILES for 2-amino-2-(6-chloro-1-cyclopropylbenzimidazol-2-yl)ethanol is NC(CO)c1nc2ccc(Cl)cc2n1C1CC1.
What is the InChIKey of 2-amino-2-(6-chloro-1-cyclopropylbenzimidazol-2-yl)ethanol?
The InChIKey is IMFSGVFKGDFRCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O/c13-7-1-4-10-11(5-7)16(8-2-3-8)12(15-10)9(14)6-17/h1,4-5,8-9,17H,2-3,6,14H2.
What are the key properties of 2-amino-2-(6-chloro-1-cyclopropylbenzimidazol-2-yl)ethanol?
2-amino-2-(6-chloro-1-cyclopropylbenzimidazol-2-yl)ethanol has a molecular weight of 251.72 g/mol, XLogP of 2.02, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(6-chloro-1-cyclopropylbenzimidazol-2-yl)ethanol is sourced from PubChem (CID 113316662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).