2-(1-aminopropan-2-yl)-3H-benzimidazol-5-ol

C10H13N3O — CID 81432291

IUPAC2-(1-aminopropan-2-yl)-3H-benzimidazol-5-ol
SMILESCC(CN)c1nc2ccc(O)cc2[nH]1
InChIInChI=1S/C10H13N3O/c1-6(5-11)10-12-8-3-2-7(14)4-9(8)13-10/h2-4,6,14H,5,11H2,1H3,(H,12,13)
InChIKeyGMROPOBYILGCMQ-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.33
Rot. Bonds2

About 2-(1-aminopropan-2-yl)-3H-benzimidazol-5-ol

2-(1-aminopropan-2-yl)-3H-benzimidazol-5-ol (PubChem CID 81432291) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is 2-(1-aminopropan-2-yl)-3H-benzimidazol-5-ol.

Molecular Properties

Compound Name2-(1-aminopropan-2-yl)-3H-benzimidazol-5-ol
PubChem CID81432291
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name2-(1-aminopropan-2-yl)-3H-benzimidazol-5-ol
SMILESCC(CN)c1nc2ccc(O)cc2[nH]1
InChIInChI=1S/C10H13N3O/c1-6(5-11)10-12-8-3-2-7(14)4-9(8)13-10/h2-4,6,14H,5,11H2,1H3,(H,12,13)
InChIKeyGMROPOBYILGCMQ-UHFFFAOYSA-N
XLogP1.33
TPSA74.93 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-pentan-2-yl-3H-benzimidazol-5-ol
CID 81431667
2-[(1S)-1-aminoethyl]-3H-benzimidazol-5-ol
CID 69314900
2-(2-amino-1-methoxyethyl)-3H-benzimidazol-5-ol
CID 106108763
2-(3H-imidazo[4,5-c]pyridin-2-yl)propan-1-amine
CID 63268874
2-[amino(cyclopropyl)methyl]-3H-benzimidazol-5-ol
CID 81432300
2-(1-morpholin-4-ylethyl)-3H-benzimidazol-5-ol
CID 82336117
2-[1-[4-(2-hydroxyethyl)piperazin-1-yl]ethyl]-3H-benzimidazol-5-ol
CID 82336102
2-butan-2-yl-6-iodo-1H-benzimidazole
CID 176683377
3-(5,6-difluoro-1H-benzimidazol-2-yl)butan-1-amine
CID 80539436
(1R)-1-(6-amino-1H-benzimidazol-2-yl)ethanol
CID 41455600
6-methoxy-2-pentan-2-yl-1H-benzimidazole
CID 65017601
2-(2-fluoropropylsulfanyl)-3H-benzimidazol-5-ol
CID 84617418

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminopropan-2-yl)-3H-benzimidazol-5-ol?
The IUPAC name of 2-(1-aminopropan-2-yl)-3H-benzimidazol-5-ol (CID 81432291) is 2-(1-aminopropan-2-yl)-3H-benzimidazol-5-ol.
What is the SMILES notation for 2-(1-aminopropan-2-yl)-3H-benzimidazol-5-ol?
The canonical SMILES for 2-(1-aminopropan-2-yl)-3H-benzimidazol-5-ol is CC(CN)c1nc2ccc(O)cc2[nH]1.
What is the InChIKey of 2-(1-aminopropan-2-yl)-3H-benzimidazol-5-ol?
The InChIKey is GMROPOBYILGCMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c1-6(5-11)10-12-8-3-2-7(14)4-9(8)13-10/h2-4,6,14H,5,11H2,1H3,(H,12,13).
What are the key properties of 2-(1-aminopropan-2-yl)-3H-benzimidazol-5-ol?
2-(1-aminopropan-2-yl)-3H-benzimidazol-5-ol has a molecular weight of 191.23 g/mol, XLogP of 1.33, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminopropan-2-yl)-3H-benzimidazol-5-ol is sourced from PubChem (CID 81432291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).