3-amino-1-(5-methoxy-1-methylbenzimidazol-2-yl)propan-1-ol

C12H17N3O2 — CID 107835458

IUPAC3-amino-1-(5-methoxy-1-methylbenzimidazol-2-yl)propan-1-ol
SMILESCOc1ccc2c(c1)nc(C(O)CCN)n2C
InChIInChI=1S/C12H17N3O2/c1-15-10-4-3-8(17-2)7-9(10)14-12(15)11(16)5-6-13/h3-4,7,11,16H,5-6,13H2,1-2H3
InChIKeyKQHWZWKGWUNFMV-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.96
Rot. Bonds4

About 3-amino-1-(5-methoxy-1-methylbenzimidazol-2-yl)propan-1-ol

3-amino-1-(5-methoxy-1-methylbenzimidazol-2-yl)propan-1-ol (PubChem CID 107835458) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 3-amino-1-(5-methoxy-1-methylbenzimidazol-2-yl)propan-1-ol.

Molecular Properties

Compound Name3-amino-1-(5-methoxy-1-methylbenzimidazol-2-yl)propan-1-ol
PubChem CID107835458
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name3-amino-1-(5-methoxy-1-methylbenzimidazol-2-yl)propan-1-ol
SMILESCOc1ccc2c(c1)nc(C(O)CCN)n2C
InChIInChI=1S/C12H17N3O2/c1-15-10-4-3-8(17-2)7-9(10)14-12(15)11(16)5-6-13/h3-4,7,11,16H,5-6,13H2,1-2H3
InChIKeyKQHWZWKGWUNFMV-UHFFFAOYSA-N
XLogP0.96
TPSA73.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-1-(1,5-dimethylbenzimidazol-2-yl)propan-1-ol
CID 107835396
2-(difluoromethyl)-5-methoxy-1-methylbenzimidazole
CID 145162362
3-amino-1-(6-fluoro-1-methylbenzimidazol-2-yl)propan-1-ol
CID 107835425
2-chloro-5-methoxy-1-methylbenzimidazole
CID 45078585
3-amino-1-(5-methyl-1-propylbenzimidazol-2-yl)propan-1-ol
CID 107835397
3-amino-1-(6-methoxy-1,3-benzoxazol-2-yl)propan-1-ol
CID 107837480
2-(5-methoxy-1-methylbenzimidazol-2-yl)acetic acid
CID 82334255
2-(3-amino-1-hydroxypropyl)-5-methoxyphenol
CID 82606953
(1S)-1-(5-methoxy-1-propan-2-ylbenzimidazol-2-yl)ethanamine
CID 83858310
1-[5-(aminomethyl)-1-methylbenzimidazol-2-yl]ethanol
CID 65040057
1-(1-methylbenzimidazol-2-yl)butan-1-ol
CID 17027803
3-methyl-1-(1-methyl-5-propan-2-yloxybenzimidazol-2-yl)butan-1-amine
CID 82335287

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(5-methoxy-1-methylbenzimidazol-2-yl)propan-1-ol?
The IUPAC name of 3-amino-1-(5-methoxy-1-methylbenzimidazol-2-yl)propan-1-ol (CID 107835458) is 3-amino-1-(5-methoxy-1-methylbenzimidazol-2-yl)propan-1-ol.
What is the SMILES notation for 3-amino-1-(5-methoxy-1-methylbenzimidazol-2-yl)propan-1-ol?
The canonical SMILES for 3-amino-1-(5-methoxy-1-methylbenzimidazol-2-yl)propan-1-ol is COc1ccc2c(c1)nc(C(O)CCN)n2C.
What is the InChIKey of 3-amino-1-(5-methoxy-1-methylbenzimidazol-2-yl)propan-1-ol?
The InChIKey is KQHWZWKGWUNFMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-15-10-4-3-8(17-2)7-9(10)14-12(15)11(16)5-6-13/h3-4,7,11,16H,5-6,13H2,1-2H3.
What are the key properties of 3-amino-1-(5-methoxy-1-methylbenzimidazol-2-yl)propan-1-ol?
3-amino-1-(5-methoxy-1-methylbenzimidazol-2-yl)propan-1-ol has a molecular weight of 235.29 g/mol, XLogP of 0.96, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(5-methoxy-1-methylbenzimidazol-2-yl)propan-1-ol is sourced from PubChem (CID 107835458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).