2,3-diamino-3-(3H-benzimidazol-5-yl)propan-1-ol

C10H14N4O — CID 116942422

IUPAC2,3-diamino-3-(3H-benzimidazol-5-yl)propan-1-ol
SMILESNC(CO)C(N)c1ccc2nc[nH]c2c1
InChIInChI=1S/C10H14N4O/c11-7(4-15)10(12)6-1-2-8-9(3-6)14-5-13-8/h1-3,5,7,10,15H,4,11-12H2,(H,13,14)
InChIKeyQXXPXVHBGUVSER-UHFFFAOYSA-N
MW206.25 g/mol
LogP-0.12
Rot. Bonds3

About 2,3-diamino-3-(3H-benzimidazol-5-yl)propan-1-ol

2,3-diamino-3-(3H-benzimidazol-5-yl)propan-1-ol (PubChem CID 116942422) has the molecular formula C10H14N4O and a molecular weight of 206.25 g/mol. Its IUPAC name is 2,3-diamino-3-(3H-benzimidazol-5-yl)propan-1-ol.

Molecular Properties

Compound Name2,3-diamino-3-(3H-benzimidazol-5-yl)propan-1-ol
PubChem CID116942422
Molecular FormulaC10H14N4O
Molecular Weight206.25 g/mol
Exact Mass206.12
IUPAC Name2,3-diamino-3-(3H-benzimidazol-5-yl)propan-1-ol
SMILESNC(CO)C(N)c1ccc2nc[nH]c2c1
InChIInChI=1S/C10H14N4O/c11-7(4-15)10(12)6-1-2-8-9(3-6)14-5-13-8/h1-3,5,7,10,15H,4,11-12H2,(H,13,14)
InChIKeyQXXPXVHBGUVSER-UHFFFAOYSA-N
XLogP-0.12
TPSA100.95 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 5-0.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 70374087
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CID 96741805
N-[amino(3H-benzimidazol-5-yl)methyl]hydroxylamine
CID 163537798
2-(3H-benzimidazol-5-yl)-2-(dimethylamino)ethanol
CID 116857291
2-[amino(3H-benzimidazol-5-yl)methyl]-3-methylbutanoic acid
CID 116945219
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CID 134401277
2-(3H-benzimidazol-5-yl)-2-(diaminomethylideneamino)acetic acid
CID 174481598
1,3-bis(3H-benzimidazol-5-yl)-1,3-dibromopropan-2-one
CID 22163885
6-(dimethoxymethyl)-1H-benzimidazole
CID 141171021
2-(3H-benzimidazol-5-yl)-2-chloroacetic acid
CID 83533661
3-(3H-benzimidazol-5-yl)-4-methylpentan-1-amine
CID 82493432
3-(3H-benzimidazol-5-yl)-3-(1H-pyrrol-3-yl)propanoic acid
CID 116834105

Frequently Asked Questions

What is the IUPAC name of 2,3-diamino-3-(3H-benzimidazol-5-yl)propan-1-ol?
The IUPAC name of 2,3-diamino-3-(3H-benzimidazol-5-yl)propan-1-ol (CID 116942422) is 2,3-diamino-3-(3H-benzimidazol-5-yl)propan-1-ol.
What is the SMILES notation for 2,3-diamino-3-(3H-benzimidazol-5-yl)propan-1-ol?
The canonical SMILES for 2,3-diamino-3-(3H-benzimidazol-5-yl)propan-1-ol is NC(CO)C(N)c1ccc2nc[nH]c2c1.
What is the InChIKey of 2,3-diamino-3-(3H-benzimidazol-5-yl)propan-1-ol?
The InChIKey is QXXPXVHBGUVSER-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O/c11-7(4-15)10(12)6-1-2-8-9(3-6)14-5-13-8/h1-3,5,7,10,15H,4,11-12H2,(H,13,14).
What are the key properties of 2,3-diamino-3-(3H-benzimidazol-5-yl)propan-1-ol?
2,3-diamino-3-(3H-benzimidazol-5-yl)propan-1-ol has a molecular weight of 206.25 g/mol, XLogP of -0.12, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diamino-3-(3H-benzimidazol-5-yl)propan-1-ol is sourced from PubChem (CID 116942422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).