3-amino-1-(6-fluoro-1-methylbenzimidazol-2-yl)propan-1-ol

C11H14FN3O — CID 107835425

IUPAC3-amino-1-(6-fluoro-1-methylbenzimidazol-2-yl)propan-1-ol
SMILESCn1c(C(O)CCN)nc2ccc(F)cc21
InChIInChI=1S/C11H14FN3O/c1-15-9-6-7(12)2-3-8(9)14-11(15)10(16)4-5-13/h2-3,6,10,16H,4-5,13H2,1H3
InChIKeyWXRYUKJDHAARJU-UHFFFAOYSA-N
MW223.25 g/mol
LogP1.09
Rot. Bonds3

About 3-amino-1-(6-fluoro-1-methylbenzimidazol-2-yl)propan-1-ol

3-amino-1-(6-fluoro-1-methylbenzimidazol-2-yl)propan-1-ol (PubChem CID 107835425) has the molecular formula C11H14FN3O and a molecular weight of 223.25 g/mol. Its IUPAC name is 3-amino-1-(6-fluoro-1-methylbenzimidazol-2-yl)propan-1-ol.

Molecular Properties

Compound Name3-amino-1-(6-fluoro-1-methylbenzimidazol-2-yl)propan-1-ol
PubChem CID107835425
Molecular FormulaC11H14FN3O
Molecular Weight223.25 g/mol
Exact Mass223.11
IUPAC Name3-amino-1-(6-fluoro-1-methylbenzimidazol-2-yl)propan-1-ol
SMILESCn1c(C(O)CCN)nc2ccc(F)cc21
InChIInChI=1S/C11H14FN3O/c1-15-9-6-7(12)2-3-8(9)14-11(15)10(16)4-5-13/h2-3,6,10,16H,4-5,13H2,1H3
InChIKeyWXRYUKJDHAARJU-UHFFFAOYSA-N
XLogP1.09
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(6-fluoro-1-methylbenzimidazol-2-yl)butan-1-amine
CID 80539695
3-amino-1-(1,5-dimethylbenzimidazol-2-yl)propan-1-ol
CID 107835396
3-amino-1-(5-methoxy-1-methylbenzimidazol-2-yl)propan-1-ol
CID 107835458
3-(6-fluoro-1-propylbenzimidazol-2-yl)butan-1-amine
CID 80539721
(6-fluoro-1-methylbenzimidazol-2-yl)methanamine
CID 62377229
3-amino-1-(6-chloro-1-propylbenzimidazol-2-yl)propan-1-ol
CID 107835456
1-(1-methylbenzimidazol-2-yl)butan-1-ol
CID 17027803
1-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)pentan-1-amine
CID 62376750
2-(6-fluoro-1-propylbenzimidazol-2-yl)butan-1-amine
CID 65220782
2-(1-ethyl-6-fluorobenzimidazol-2-yl)pentan-1-amine
CID 65220732
3-amino-1-(6-chloro-1-cyclopropylbenzimidazol-2-yl)propan-1-ol
CID 114006759
3-amino-1-(1-tert-butylbenzimidazol-2-yl)propan-1-ol
CID 107835391

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(6-fluoro-1-methylbenzimidazol-2-yl)propan-1-ol?
The IUPAC name of 3-amino-1-(6-fluoro-1-methylbenzimidazol-2-yl)propan-1-ol (CID 107835425) is 3-amino-1-(6-fluoro-1-methylbenzimidazol-2-yl)propan-1-ol.
What is the SMILES notation for 3-amino-1-(6-fluoro-1-methylbenzimidazol-2-yl)propan-1-ol?
The canonical SMILES for 3-amino-1-(6-fluoro-1-methylbenzimidazol-2-yl)propan-1-ol is Cn1c(C(O)CCN)nc2ccc(F)cc21.
What is the InChIKey of 3-amino-1-(6-fluoro-1-methylbenzimidazol-2-yl)propan-1-ol?
The InChIKey is WXRYUKJDHAARJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3O/c1-15-9-6-7(12)2-3-8(9)14-11(15)10(16)4-5-13/h2-3,6,10,16H,4-5,13H2,1H3.
What are the key properties of 3-amino-1-(6-fluoro-1-methylbenzimidazol-2-yl)propan-1-ol?
3-amino-1-(6-fluoro-1-methylbenzimidazol-2-yl)propan-1-ol has a molecular weight of 223.25 g/mol, XLogP of 1.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(6-fluoro-1-methylbenzimidazol-2-yl)propan-1-ol is sourced from PubChem (CID 107835425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).