[4-(aminomethyl)-1-methylbenzimidazol-2-yl]methanol

C10H13N3O — CID 104721498

IUPAC[4-(aminomethyl)-1-methylbenzimidazol-2-yl]methanol
SMILESCn1c(CO)nc2c(CN)cccc21
InChIInChI=1S/C10H13N3O/c1-13-8-4-2-3-7(5-11)10(8)12-9(13)6-14/h2-4,14H,5-6,11H2,1H3
InChIKeyQDJQUHKZJLVZPN-UHFFFAOYSA-N
MW191.23 g/mol
LogP0.52
Rot. Bonds2

About [4-(aminomethyl)-1-methylbenzimidazol-2-yl]methanol

[4-(aminomethyl)-1-methylbenzimidazol-2-yl]methanol (PubChem CID 104721498) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is [4-(aminomethyl)-1-methylbenzimidazol-2-yl]methanol.

Molecular Properties

Compound Name[4-(aminomethyl)-1-methylbenzimidazol-2-yl]methanol
PubChem CID104721498
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name[4-(aminomethyl)-1-methylbenzimidazol-2-yl]methanol
SMILESCn1c(CO)nc2c(CN)cccc21
InChIInChI=1S/C10H13N3O/c1-13-8-4-2-3-7(5-11)10(8)12-9(13)6-14/h2-4,14H,5-6,11H2,1H3
InChIKeyQDJQUHKZJLVZPN-UHFFFAOYSA-N
XLogP0.52
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)-1-methylbenzimidazol-2-yl]methanol?
The IUPAC name of [4-(aminomethyl)-1-methylbenzimidazol-2-yl]methanol (CID 104721498) is [4-(aminomethyl)-1-methylbenzimidazol-2-yl]methanol.
What is the SMILES notation for [4-(aminomethyl)-1-methylbenzimidazol-2-yl]methanol?
The canonical SMILES for [4-(aminomethyl)-1-methylbenzimidazol-2-yl]methanol is Cn1c(CO)nc2c(CN)cccc21.
What is the InChIKey of [4-(aminomethyl)-1-methylbenzimidazol-2-yl]methanol?
The InChIKey is QDJQUHKZJLVZPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c1-13-8-4-2-3-7(5-11)10(8)12-9(13)6-14/h2-4,14H,5-6,11H2,1H3.
What are the key properties of [4-(aminomethyl)-1-methylbenzimidazol-2-yl]methanol?
[4-(aminomethyl)-1-methylbenzimidazol-2-yl]methanol has a molecular weight of 191.23 g/mol, XLogP of 0.52, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(aminomethyl)-1-methylbenzimidazol-2-yl]methanol is sourced from PubChem (CID 104721498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).