[1-[amino-(1-methylbenzimidazol-5-yl)methyl]cyclopropyl]methanol

C13H17N3O — CID 116943274

IUPAC[1-[amino-(1-methylbenzimidazol-5-yl)methyl]cyclopropyl]methanol
SMILESCn1cnc2cc(C(N)C3(CO)CC3)ccc21
InChIInChI=1S/C13H17N3O/c1-16-8-15-10-6-9(2-3-11(10)16)12(14)13(7-17)4-5-13/h2-3,6,8,12,17H,4-5,7,14H2,1H3
InChIKeyZHTZFIPDFUDDEO-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.35
Rot. Bonds3

About [1-[amino-(1-methylbenzimidazol-5-yl)methyl]cyclopropyl]methanol

[1-[amino-(1-methylbenzimidazol-5-yl)methyl]cyclopropyl]methanol (PubChem CID 116943274) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is [1-[amino-(1-methylbenzimidazol-5-yl)methyl]cyclopropyl]methanol.

Molecular Properties

Compound Name[1-[amino-(1-methylbenzimidazol-5-yl)methyl]cyclopropyl]methanol
PubChem CID116943274
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name[1-[amino-(1-methylbenzimidazol-5-yl)methyl]cyclopropyl]methanol
SMILESCn1cnc2cc(C(N)C3(CO)CC3)ccc21
InChIInChI=1S/C13H17N3O/c1-16-8-15-10-6-9(2-3-11(10)16)12(14)13(7-17)4-5-13/h2-3,6,8,12,17H,4-5,7,14H2,1H3
InChIKeyZHTZFIPDFUDDEO-UHFFFAOYSA-N
XLogP1.35
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[amino-(1-methylbenzimidazol-5-yl)methyl]cyclobutyl]methanol
CID 116944232
(1S)-1-(1-methylbenzimidazol-5-yl)ethanamine
CID 95992488
2-amino-2-(1-methylbenzimidazol-5-yl)acetic acid
CID 82396347
2-amino-3-(methylamino)-3-(1-methylbenzimidazol-5-yl)propan-1-ol
CID 116957549
(3R)-3-hydroxy-3-(1-methylbenzimidazol-5-yl)propanoic acid
CID 95997414
azetidin-3-yl-(1-methylbenzimidazol-5-yl)methanamine
CID 116935373
3-amino-2,2-dimethyl-3-(1-methylbenzimidazol-5-yl)propanenitrile
CID 116940438
2-amino-3-(methylamino)-3-(1-methylbenzimidazol-5-yl)propanoic acid
CID 116957399
1-[3-(aminomethyl)oxetan-3-yl]-N-methyl-1-(1-methylbenzimidazol-5-yl)methanamine
CID 116959619
4-hydroxy-4-(1-methylbenzimidazol-5-yl)butanoic acid
CID 82347089
2-[cyclopropyl(methyl)amino]-2-(1-methylbenzimidazol-5-yl)acetic acid
CID 116857492
3-(methylamino)-1-(1-methylbenzimidazol-5-yl)propan-1-ol
CID 82493892

Frequently Asked Questions

What is the IUPAC name of [1-[amino-(1-methylbenzimidazol-5-yl)methyl]cyclopropyl]methanol?
The IUPAC name of [1-[amino-(1-methylbenzimidazol-5-yl)methyl]cyclopropyl]methanol (CID 116943274) is [1-[amino-(1-methylbenzimidazol-5-yl)methyl]cyclopropyl]methanol.
What is the SMILES notation for [1-[amino-(1-methylbenzimidazol-5-yl)methyl]cyclopropyl]methanol?
The canonical SMILES for [1-[amino-(1-methylbenzimidazol-5-yl)methyl]cyclopropyl]methanol is Cn1cnc2cc(C(N)C3(CO)CC3)ccc21.
What is the InChIKey of [1-[amino-(1-methylbenzimidazol-5-yl)methyl]cyclopropyl]methanol?
The InChIKey is ZHTZFIPDFUDDEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-16-8-15-10-6-9(2-3-11(10)16)12(14)13(7-17)4-5-13/h2-3,6,8,12,17H,4-5,7,14H2,1H3.
What are the key properties of [1-[amino-(1-methylbenzimidazol-5-yl)methyl]cyclopropyl]methanol?
[1-[amino-(1-methylbenzimidazol-5-yl)methyl]cyclopropyl]methanol has a molecular weight of 231.30 g/mol, XLogP of 1.35, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[amino-(1-methylbenzimidazol-5-yl)methyl]cyclopropyl]methanol is sourced from PubChem (CID 116943274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).