[2-[4-(aminomethyl)-3-methylbenzimidazol-5-yl]phenyl]methanol

C16H17N3O — CID 11708771

IUPAC[2-[4-(aminomethyl)-3-methylbenzimidazol-5-yl]phenyl]methanol
SMILESCn1cnc2ccc(-c3ccccc3CO)c(CN)c21
InChIInChI=1S/C16H17N3O/c1-19-10-18-15-7-6-13(14(8-17)16(15)19)12-5-3-2-4-11(12)9-20/h2-7,10,20H,8-9,17H2,1H3
InChIKeyGIKCNVZJQANPPZ-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.19
Rot. Bonds3

About [2-[4-(aminomethyl)-3-methylbenzimidazol-5-yl]phenyl]methanol

[2-[4-(aminomethyl)-3-methylbenzimidazol-5-yl]phenyl]methanol (PubChem CID 11708771) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is [2-[4-(aminomethyl)-3-methylbenzimidazol-5-yl]phenyl]methanol.

Molecular Properties

Compound Name[2-[4-(aminomethyl)-3-methylbenzimidazol-5-yl]phenyl]methanol
PubChem CID11708771
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name[2-[4-(aminomethyl)-3-methylbenzimidazol-5-yl]phenyl]methanol
SMILESCn1cnc2ccc(-c3ccccc3CO)c(CN)c21
InChIInChI=1S/C16H17N3O/c1-19-10-18-15-7-6-13(14(8-17)16(15)19)12-5-3-2-4-11(12)9-20/h2-7,10,20H,8-9,17H2,1H3
InChIKeyGIKCNVZJQANPPZ-UHFFFAOYSA-N
XLogP2.19
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[4-(aminomethyl)-3-methylbenzimidazol-5-yl]phenyl]methanol?
The IUPAC name of [2-[4-(aminomethyl)-3-methylbenzimidazol-5-yl]phenyl]methanol (CID 11708771) is [2-[4-(aminomethyl)-3-methylbenzimidazol-5-yl]phenyl]methanol.
What is the SMILES notation for [2-[4-(aminomethyl)-3-methylbenzimidazol-5-yl]phenyl]methanol?
The canonical SMILES for [2-[4-(aminomethyl)-3-methylbenzimidazol-5-yl]phenyl]methanol is Cn1cnc2ccc(-c3ccccc3CO)c(CN)c21.
What is the InChIKey of [2-[4-(aminomethyl)-3-methylbenzimidazol-5-yl]phenyl]methanol?
The InChIKey is GIKCNVZJQANPPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-19-10-18-15-7-6-13(14(8-17)16(15)19)12-5-3-2-4-11(12)9-20/h2-7,10,20H,8-9,17H2,1H3.
What are the key properties of [2-[4-(aminomethyl)-3-methylbenzimidazol-5-yl]phenyl]methanol?
[2-[4-(aminomethyl)-3-methylbenzimidazol-5-yl]phenyl]methanol has a molecular weight of 267.33 g/mol, XLogP of 2.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(aminomethyl)-3-methylbenzimidazol-5-yl]phenyl]methanol is sourced from PubChem (CID 11708771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).