5-(1H-benzimidazol-2-yl)-2-propan-2-yloxyaniline

C16H17N3O — CID 82144258

IUPAC5-(1H-benzimidazol-2-yl)-2-propan-2-yloxyaniline
SMILESCC(C)Oc1ccc(-c2nc3ccccc3[nH]2)cc1N
InChIInChI=1S/C16H17N3O/c1-10(2)20-15-8-7-11(9-12(15)17)16-18-13-5-3-4-6-14(13)19-16/h3-10H,17H2,1-2H3,(H,18,19)
InChIKeyJRSCTHIDDMGCRO-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.60
Rot. Bonds3

About 5-(1H-benzimidazol-2-yl)-2-propan-2-yloxyaniline

5-(1H-benzimidazol-2-yl)-2-propan-2-yloxyaniline (PubChem CID 82144258) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 5-(1H-benzimidazol-2-yl)-2-propan-2-yloxyaniline.

Molecular Properties

Compound Name5-(1H-benzimidazol-2-yl)-2-propan-2-yloxyaniline
PubChem CID82144258
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name5-(1H-benzimidazol-2-yl)-2-propan-2-yloxyaniline
SMILESCC(C)Oc1ccc(-c2nc3ccccc3[nH]2)cc1N
InChIInChI=1S/C16H17N3O/c1-10(2)20-15-8-7-11(9-12(15)17)16-18-13-5-3-4-6-14(13)19-16/h3-10H,17H2,1-2H3,(H,18,19)
InChIKeyJRSCTHIDDMGCRO-UHFFFAOYSA-N
XLogP3.60
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-(1H-benzimidazol-2-yl)-2-(2-methylpropoxy)aniline
CID 82144256
4-[6-(1H-benzimidazol-2-yl)-1H-benzimidazol-2-yl]benzene-1,2-diamine
CID 59071986
2-(3-amino-4-methoxyphenyl)-3H-benzimidazol-5-ol
CID 81432559
2-[4-[4-(1H-benzimidazol-2-yl)phenyl]phenyl]-1H-benzimidazole
CID 12522580
2-[3-ethoxy-4-(3-methylbutoxy)phenyl]-1H-benzimidazole
CID 19224198
2-[4-[3,5-bis[4-(1H-benzimidazol-2-yl)phenyl]phenyl]phenyl]-1H-benzimidazole
CID 102200427
4-(1H-benzimidazol-2-yl)-2,6-dimethylaniline
CID 121004860
2-(6-methoxynaphthalen-2-yl)-1H-benzimidazole
CID 56925290
2-(4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9,11,13,15,17,19-nonaenyl)-1H-benzimidazole
CID 168554502
2-[3-(methoxymethyl)-4-propan-2-yloxyphenyl]-3H-quinazolin-4-one
CID 168551682
2-(4-methoxy-3-propoxyphenyl)-1H-benzimidazole
CID 110539403
2-[4-methoxy-3-[(4-methoxyphenoxy)methyl]phenyl]-1H-benzimidazole
CID 168554144

Frequently Asked Questions

What is the IUPAC name of 5-(1H-benzimidazol-2-yl)-2-propan-2-yloxyaniline?
The IUPAC name of 5-(1H-benzimidazol-2-yl)-2-propan-2-yloxyaniline (CID 82144258) is 5-(1H-benzimidazol-2-yl)-2-propan-2-yloxyaniline.
What is the SMILES notation for 5-(1H-benzimidazol-2-yl)-2-propan-2-yloxyaniline?
The canonical SMILES for 5-(1H-benzimidazol-2-yl)-2-propan-2-yloxyaniline is CC(C)Oc1ccc(-c2nc3ccccc3[nH]2)cc1N.
What is the InChIKey of 5-(1H-benzimidazol-2-yl)-2-propan-2-yloxyaniline?
The InChIKey is JRSCTHIDDMGCRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-10(2)20-15-8-7-11(9-12(15)17)16-18-13-5-3-4-6-14(13)19-16/h3-10H,17H2,1-2H3,(H,18,19).
What are the key properties of 5-(1H-benzimidazol-2-yl)-2-propan-2-yloxyaniline?
5-(1H-benzimidazol-2-yl)-2-propan-2-yloxyaniline has a molecular weight of 267.33 g/mol, XLogP of 3.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-benzimidazol-2-yl)-2-propan-2-yloxyaniline is sourced from PubChem (CID 82144258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).