3-amino-3-(7-chloro-1-propan-2-ylbenzimidazol-2-yl)propan-1-ol

C13H18ClN3O — CID 61230072

IUPAC3-amino-3-(7-chloro-1-propan-2-ylbenzimidazol-2-yl)propan-1-ol
SMILESCC(C)n1c(C(N)CCO)nc2cccc(Cl)c21
InChIInChI=1S/C13H18ClN3O/c1-8(2)17-12-9(14)4-3-5-11(12)16-13(17)10(15)6-7-18/h3-5,8,10,18H,6-7,15H2,1-2H3
InChIKeyDOBCORYVKBEWIN-UHFFFAOYSA-N
MW267.76 g/mol
LogP2.65
Rot. Bonds4

About 3-amino-3-(7-chloro-1-propan-2-ylbenzimidazol-2-yl)propan-1-ol

3-amino-3-(7-chloro-1-propan-2-ylbenzimidazol-2-yl)propan-1-ol (PubChem CID 61230072) has the molecular formula C13H18ClN3O and a molecular weight of 267.76 g/mol. Its IUPAC name is 3-amino-3-(7-chloro-1-propan-2-ylbenzimidazol-2-yl)propan-1-ol.

Molecular Properties

Compound Name3-amino-3-(7-chloro-1-propan-2-ylbenzimidazol-2-yl)propan-1-ol
PubChem CID61230072
Molecular FormulaC13H18ClN3O
Molecular Weight267.76 g/mol
Exact Mass267.11
IUPAC Name3-amino-3-(7-chloro-1-propan-2-ylbenzimidazol-2-yl)propan-1-ol
SMILESCC(C)n1c(C(N)CCO)nc2cccc(Cl)c21
InChIInChI=1S/C13H18ClN3O/c1-8(2)17-12-9(14)4-3-5-11(12)16-13(17)10(15)6-7-18/h3-5,8,10,18H,6-7,15H2,1-2H3
InChIKeyDOBCORYVKBEWIN-UHFFFAOYSA-N
XLogP2.65
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(7-chloro-1-propan-2-ylbenzimidazol-2-yl)propan-1-ol?
The IUPAC name of 3-amino-3-(7-chloro-1-propan-2-ylbenzimidazol-2-yl)propan-1-ol (CID 61230072) is 3-amino-3-(7-chloro-1-propan-2-ylbenzimidazol-2-yl)propan-1-ol.
What is the SMILES notation for 3-amino-3-(7-chloro-1-propan-2-ylbenzimidazol-2-yl)propan-1-ol?
The canonical SMILES for 3-amino-3-(7-chloro-1-propan-2-ylbenzimidazol-2-yl)propan-1-ol is CC(C)n1c(C(N)CCO)nc2cccc(Cl)c21.
What is the InChIKey of 3-amino-3-(7-chloro-1-propan-2-ylbenzimidazol-2-yl)propan-1-ol?
The InChIKey is DOBCORYVKBEWIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O/c1-8(2)17-12-9(14)4-3-5-11(12)16-13(17)10(15)6-7-18/h3-5,8,10,18H,6-7,15H2,1-2H3.
What are the key properties of 3-amino-3-(7-chloro-1-propan-2-ylbenzimidazol-2-yl)propan-1-ol?
3-amino-3-(7-chloro-1-propan-2-ylbenzimidazol-2-yl)propan-1-ol has a molecular weight of 267.76 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(7-chloro-1-propan-2-ylbenzimidazol-2-yl)propan-1-ol is sourced from PubChem (CID 61230072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).