2-amino-1-propylbenzimidazol-5-ol

C10H13N3O — CID 84771922

IUPAC2-amino-1-propylbenzimidazol-5-ol
SMILESCCCn1c(N)nc2cc(O)ccc21
InChIInChI=1S/C10H13N3O/c1-2-5-13-9-4-3-7(14)6-8(9)12-10(13)11/h3-4,6,14H,2,5H2,1H3,(H2,11,12)
InChIKeyCSCJTEDBLOXRIP-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.73
Rot. Bonds2

About 2-amino-1-propylbenzimidazol-5-ol

2-amino-1-propylbenzimidazol-5-ol (PubChem CID 84771922) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is 2-amino-1-propylbenzimidazol-5-ol.

Molecular Properties

Compound Name2-amino-1-propylbenzimidazol-5-ol
PubChem CID84771922
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name2-amino-1-propylbenzimidazol-5-ol
SMILESCCCn1c(N)nc2cc(O)ccc21
InChIInChI=1S/C10H13N3O/c1-2-5-13-9-4-3-7(14)6-8(9)12-10(13)11/h3-4,6,14H,2,5H2,1H3,(H2,11,12)
InChIKeyCSCJTEDBLOXRIP-UHFFFAOYSA-N
XLogP1.73
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5,6-dimethyl-1-propylbenzimidazol-2-amine
CID 82359039
(2-amino-1-propylbenzimidazol-5-yl)-methylcarbamic acid
CID 68790603
2-amino-1-butylbenzimidazole-5-carboxylic acid
CID 91671806
2-amino-3-propylbenzimidazole-5-carboxylic acid
CID 84786648
1-(2-aminoethyl)-5-methylbenzimidazol-2-amine
CID 84771588
1-butyl-5-(trifluoromethyl)benzimidazol-2-amine
CID 115501979
5-bromo-6-fluoro-1-propylbenzimidazol-2-amine
CID 66088233
2-(5-fluoro-1-propylbenzimidazol-2-yl)benzene-1,4-diol
CID 136903731
2-propan-2-yl-1-propylbenzimidazol-5-amine
CID 43830820
4-chloro-3-(5-fluoro-1-propylbenzimidazol-2-yl)phenol
CID 106502308
5-(2-amino-5-methylbenzimidazol-1-yl)pentanamide
CID 106239939
N-[2-amino-1-(3-amino-3-oxopropyl)benzimidazol-5-yl]butanamide
CID 123952258

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-propylbenzimidazol-5-ol?
The IUPAC name of 2-amino-1-propylbenzimidazol-5-ol (CID 84771922) is 2-amino-1-propylbenzimidazol-5-ol.
What is the SMILES notation for 2-amino-1-propylbenzimidazol-5-ol?
The canonical SMILES for 2-amino-1-propylbenzimidazol-5-ol is CCCn1c(N)nc2cc(O)ccc21.
What is the InChIKey of 2-amino-1-propylbenzimidazol-5-ol?
The InChIKey is CSCJTEDBLOXRIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c1-2-5-13-9-4-3-7(14)6-8(9)12-10(13)11/h3-4,6,14H,2,5H2,1H3,(H2,11,12).
What are the key properties of 2-amino-1-propylbenzimidazol-5-ol?
2-amino-1-propylbenzimidazol-5-ol has a molecular weight of 191.23 g/mol, XLogP of 1.73, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-propylbenzimidazol-5-ol is sourced from PubChem (CID 84771922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).