2-amino-N-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-3-(3-fluoro-4-hydroxyphenyl)propanamide

C20H21FN4O2 — CID 166293212

IUPAC2-amino-N-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-3-(3-fluoro-4-hydroxyphenyl)propanamide
SMILESCn1c(C2CC2)nc2cc(NC(=O)C(N)Cc3ccc(O)c(F)c3)ccc21
InChIInChI=1S/C20H21FN4O2/c1-25-17-6-5-13(10-16(17)24-19(25)12-3-4-12)23-20(27)15(22)9-11-2-7-18(26)14(21)8-11/h2,5-8,10,12,15,26H,3-4,9,22H2,1H3,(H,23,27)
InChIKeyVOVLHIHPKBUQEZ-UHFFFAOYSA-N
MW368.41 g/mol
LogP2.80
Rot. Bonds5

About 2-amino-N-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-3-(3-fluoro-4-hydroxyphenyl)propanamide

2-amino-N-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-3-(3-fluoro-4-hydroxyphenyl)propanamide (PubChem CID 166293212) has the molecular formula C20H21FN4O2 and a molecular weight of 368.41 g/mol. Its IUPAC name is 2-amino-N-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-3-(3-fluoro-4-hydroxyphenyl)propanamide.

Molecular Properties

Compound Name2-amino-N-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-3-(3-fluoro-4-hydroxyphenyl)propanamide
PubChem CID166293212
Molecular FormulaC20H21FN4O2
Molecular Weight368.41 g/mol
Exact Mass368.16
IUPAC Name2-amino-N-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-3-(3-fluoro-4-hydroxyphenyl)propanamide
SMILESCn1c(C2CC2)nc2cc(NC(=O)C(N)Cc3ccc(O)c(F)c3)ccc21
InChIInChI=1S/C20H21FN4O2/c1-25-17-6-5-13(10-16(17)24-19(25)12-3-4-12)23-20(27)15(22)9-11-2-7-18(26)14(21)8-11/h2,5-8,10,12,15,26H,3-4,9,22H2,1H3,(H,23,27)
InChIKeyVOVLHIHPKBUQEZ-UHFFFAOYSA-N
XLogP2.80
TPSA93.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-3-(3-fluoro-4-hydroxyphenyl)propanamide?
The IUPAC name of 2-amino-N-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-3-(3-fluoro-4-hydroxyphenyl)propanamide (CID 166293212) is 2-amino-N-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-3-(3-fluoro-4-hydroxyphenyl)propanamide.
What is the SMILES notation for 2-amino-N-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-3-(3-fluoro-4-hydroxyphenyl)propanamide?
The canonical SMILES for 2-amino-N-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-3-(3-fluoro-4-hydroxyphenyl)propanamide is Cn1c(C2CC2)nc2cc(NC(=O)C(N)Cc3ccc(O)c(F)c3)ccc21.
What is the InChIKey of 2-amino-N-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-3-(3-fluoro-4-hydroxyphenyl)propanamide?
The InChIKey is VOVLHIHPKBUQEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O2/c1-25-17-6-5-13(10-16(17)24-19(25)12-3-4-12)23-20(27)15(22)9-11-2-7-18(26)14(21)8-11/h2,5-8,10,12,15,26H,3-4,9,22H2,1H3,(H,23,27).
What are the key properties of 2-amino-N-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-3-(3-fluoro-4-hydroxyphenyl)propanamide?
2-amino-N-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-3-(3-fluoro-4-hydroxyphenyl)propanamide has a molecular weight of 368.41 g/mol, XLogP of 2.80, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-3-(3-fluoro-4-hydroxyphenyl)propanamide is sourced from PubChem (CID 166293212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).