N-(3-ethyl-4-methoxyphenyl)-1H-benzimidazol-2-amine

C16H17N3O — CID 115143741

IUPACN-(3-ethyl-4-methoxyphenyl)-1H-benzimidazol-2-amine
SMILESCCc1cc(Nc2nc3ccccc3[nH]2)ccc1OC
InChIInChI=1S/C16H17N3O/c1-3-11-10-12(8-9-15(11)20-2)17-16-18-13-6-4-5-7-14(13)19-16/h4-10H,3H2,1-2H3,(H2,17,18,19)
InChIKeyAQXOFOCUNRGPOS-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.88
Rot. Bonds4

About N-(3-ethyl-4-methoxyphenyl)-1H-benzimidazol-2-amine

N-(3-ethyl-4-methoxyphenyl)-1H-benzimidazol-2-amine (PubChem CID 115143741) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is N-(3-ethyl-4-methoxyphenyl)-1H-benzimidazol-2-amine.

Molecular Properties

Compound NameN-(3-ethyl-4-methoxyphenyl)-1H-benzimidazol-2-amine
PubChem CID115143741
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC NameN-(3-ethyl-4-methoxyphenyl)-1H-benzimidazol-2-amine
SMILESCCc1cc(Nc2nc3ccccc3[nH]2)ccc1OC
InChIInChI=1S/C16H17N3O/c1-3-11-10-12(8-9-15(11)20-2)17-16-18-13-6-4-5-7-14(13)19-16/h4-10H,3H2,1-2H3,(H2,17,18,19)
InChIKeyAQXOFOCUNRGPOS-UHFFFAOYSA-N
XLogP3.88
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chloro-3-methylphenyl)-1H-benzimidazol-2-amine
CID 126502975
ethane;N-(4-methylphenyl)-1H-benzimidazol-2-amine
CID 143181783
N-(2-ethyl-6-methylphenyl)-1H-benzimidazol-2-amine
CID 923999
1-[4-(1H-benzimidazol-2-ylamino)phenyl]-3-methylbutan-2-one
CID 59609955
2-(3-chloro-4-methoxyanilino)-3H-quinazolin-4-one
CID 135713751
N-(1H-benzimidazol-2-yl)-3,4-dimethoxybenzenesulfonamide
CID 39854064
N-[(3-ethoxy-4-methoxyphenyl)methyl]-1H-benzimidazol-2-amine
CID 133410298
N-[5-(4-chloro-3-methoxyphenyl)pyrimidin-2-yl]-1H-benzimidazol-2-amine
CID 155008905
N-(3,5-difluorophenyl)-1H-benzimidazol-2-amine
CID 15604437
4-(1H-benzimidazol-2-ylamino)benzoic acid
CID 10332480
4-(1H-benzimidazol-2-ylamino)benzoic acid;bromomethane
CID 159345734
N-(1H-benzimidazol-2-yl)-2-methoxy-5-methylbenzenesulfonamide
CID 35593263

Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-4-methoxyphenyl)-1H-benzimidazol-2-amine?
The IUPAC name of N-(3-ethyl-4-methoxyphenyl)-1H-benzimidazol-2-amine (CID 115143741) is N-(3-ethyl-4-methoxyphenyl)-1H-benzimidazol-2-amine.
What is the SMILES notation for N-(3-ethyl-4-methoxyphenyl)-1H-benzimidazol-2-amine?
The canonical SMILES for N-(3-ethyl-4-methoxyphenyl)-1H-benzimidazol-2-amine is CCc1cc(Nc2nc3ccccc3[nH]2)ccc1OC.
What is the InChIKey of N-(3-ethyl-4-methoxyphenyl)-1H-benzimidazol-2-amine?
The InChIKey is AQXOFOCUNRGPOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-3-11-10-12(8-9-15(11)20-2)17-16-18-13-6-4-5-7-14(13)19-16/h4-10H,3H2,1-2H3,(H2,17,18,19).
What are the key properties of N-(3-ethyl-4-methoxyphenyl)-1H-benzimidazol-2-amine?
N-(3-ethyl-4-methoxyphenyl)-1H-benzimidazol-2-amine has a molecular weight of 267.33 g/mol, XLogP of 3.88, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-4-methoxyphenyl)-1H-benzimidazol-2-amine is sourced from PubChem (CID 115143741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).