(2R)-1-(1H-benzimidazol-2-ylamino)propan-2-ol

C10H13N3O — CID 2392362

IUPAC(2R)-1-(1H-benzimidazol-2-ylamino)propan-2-ol
SMILESC[C@@H](O)CNc1nc2ccccc2[nH]1
InChIInChI=1S/C10H13N3O/c1-7(14)6-11-10-12-8-4-2-3-5-9(8)13-10/h2-5,7,14H,6H2,1H3,(H2,11,12,13)/t7-/m1/s1
InChIKeyPSVRXGARSFQENR-SSDOTTSWSA-N
MW191.23 g/mol
LogP1.36
Rot. Bonds3

About (2R)-1-(1H-benzimidazol-2-ylamino)propan-2-ol

(2R)-1-(1H-benzimidazol-2-ylamino)propan-2-ol (PubChem CID 2392362) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is (2R)-1-(1H-benzimidazol-2-ylamino)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-(1H-benzimidazol-2-ylamino)propan-2-ol
PubChem CID2392362
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name(2R)-1-(1H-benzimidazol-2-ylamino)propan-2-ol
SMILESC[C@@H](O)CNc1nc2ccccc2[nH]1
InChIInChI=1S/C10H13N3O/c1-7(14)6-11-10-12-8-4-2-3-5-9(8)13-10/h2-5,7,14H,6H2,1H3,(H2,11,12,13)/t7-/m1/s1
InChIKeyPSVRXGARSFQENR-SSDOTTSWSA-N
XLogP1.36
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1H-benzimidazol-2-ylamino)-3,3-dimethylbutan-2-ol
CID 133410270
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CID 133410527
2-(1H-benzimidazol-2-ylamino)-1-(3,4-dimethoxyphenyl)ethanol
CID 133410382
ethane;N-propyl-1H-benzimidazol-2-amine
CID 145154327
3-(1H-benzimidazol-2-ylamino)-N-propan-2-ylpropanamide
CID 113341898
N-(2-bromoethyl)-1H-benzimidazol-2-amine
CID 119092998
1-(1H-benzimidazol-2-ylamino)-3-(cyclopropylmethoxy)propan-2-ol
CID 133409960
1-N-(1H-benzimidazol-2-yl)-2-N-methylprop-2-ene-1,2-diamine
CID 143724992
N-(2-fluoroethyl)-1H-benzimidazol-2-amine
CID 91044936
(1H-benzimidazol-2-ylamino)methylphosphonic acid
CID 57013853
N-(2-methoxyethyl)-1H-benzimidazol-2-amine
CID 16653132
N-(2-chloroprop-2-enyl)-1H-benzimidazol-2-amine
CID 115865665

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(1H-benzimidazol-2-ylamino)propan-2-ol?
The IUPAC name of (2R)-1-(1H-benzimidazol-2-ylamino)propan-2-ol (CID 2392362) is (2R)-1-(1H-benzimidazol-2-ylamino)propan-2-ol.
What is the SMILES notation for (2R)-1-(1H-benzimidazol-2-ylamino)propan-2-ol?
The canonical SMILES for (2R)-1-(1H-benzimidazol-2-ylamino)propan-2-ol is C[C@@H](O)CNc1nc2ccccc2[nH]1.
What is the InChIKey of (2R)-1-(1H-benzimidazol-2-ylamino)propan-2-ol?
The InChIKey is PSVRXGARSFQENR-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H13N3O/c1-7(14)6-11-10-12-8-4-2-3-5-9(8)13-10/h2-5,7,14H,6H2,1H3,(H2,11,12,13)/t7-/m1/s1.
What are the key properties of (2R)-1-(1H-benzimidazol-2-ylamino)propan-2-ol?
(2R)-1-(1H-benzimidazol-2-ylamino)propan-2-ol has a molecular weight of 191.23 g/mol, XLogP of 1.36, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(1H-benzimidazol-2-ylamino)propan-2-ol is sourced from PubChem (CID 2392362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).