2-(2-amino-4-hydroxycyclobutyl)-N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]acetamide

C19H19FN4O2 — CID 166322510

IUPAC2-(2-amino-4-hydroxycyclobutyl)-N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]acetamide
SMILESNC1CC(O)C1CC(=O)Nc1ccc2nc(-c3ccc(F)cc3)[nH]c2c1
InChIInChI=1S/C19H19FN4O2/c20-11-3-1-10(2-4-11)19-23-15-6-5-12(7-16(15)24-19)22-18(26)8-13-14(21)9-17(13)25/h1-7,13-14,17,25H,8-9,21H2,(H,22,26)(H,23,24)
InChIKeyIGHYEAYDADMJDR-UHFFFAOYSA-N
MW354.39 g/mol
LogP2.41
Rot. Bonds4

About 2-(2-amino-4-hydroxycyclobutyl)-N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]acetamide

2-(2-amino-4-hydroxycyclobutyl)-N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]acetamide (PubChem CID 166322510) has the molecular formula C19H19FN4O2 and a molecular weight of 354.39 g/mol. Its IUPAC name is 2-(2-amino-4-hydroxycyclobutyl)-N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]acetamide.

Molecular Properties

Compound Name2-(2-amino-4-hydroxycyclobutyl)-N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]acetamide
PubChem CID166322510
Molecular FormulaC19H19FN4O2
Molecular Weight354.39 g/mol
Exact Mass354.15
IUPAC Name2-(2-amino-4-hydroxycyclobutyl)-N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]acetamide
SMILESNC1CC(O)C1CC(=O)Nc1ccc2nc(-c3ccc(F)cc3)[nH]c2c1
InChIInChI=1S/C19H19FN4O2/c20-11-3-1-10(2-4-11)19-23-15-6-5-12(7-16(15)24-19)22-18(26)8-13-14(21)9-17(13)25/h1-7,13-14,17,25H,8-9,21H2,(H,22,26)(H,23,24)
InChIKeyIGHYEAYDADMJDR-UHFFFAOYSA-N
XLogP2.41
TPSA104.03 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.39
LogP ≤ 52.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-2-thiomorpholin-3-ylacetamide
CID 119941337
N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-2-phenoxyacetamide
CID 55726124
2-cyclohexyl-N-(2-phenyl-3H-benzimidazol-5-yl)acetamide
CID 163397662
2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]acetamide
CID 55965099
2-phenyl-N-[2-[4-[6-[(2-phenylacetyl)amino]-1H-benzimidazol-2-yl]phenyl]-3H-benzimidazol-5-yl]acetamide
CID 3106744
2-(2,4-dioxopyrimidin-1-yl)-N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]acetamide
CID 55964966
2-[2-[4-(6-fluoro-1H-benzimidazol-2-yl)anilino]-2-oxoethoxy]acetic acid
CID 118717495
N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]piperidine-3-carboxamide;dihydrochloride
CID 119854445
N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-2-[2-(methanesulfonamido)phenyl]acetamide
CID 86935054
4-hydroxy-N-[4-[6-[(4-hydroxycyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]cyclohexane-1-carboxamide
CID 10140436
2-cyano-N-[2-(4-hydroxyphenyl)-3H-benzimidazol-5-yl]acetamide
CID 168522350
N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]furan-2-carboxamide
CID 57405664

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-hydroxycyclobutyl)-N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]acetamide?
The IUPAC name of 2-(2-amino-4-hydroxycyclobutyl)-N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]acetamide (CID 166322510) is 2-(2-amino-4-hydroxycyclobutyl)-N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]acetamide.
What is the SMILES notation for 2-(2-amino-4-hydroxycyclobutyl)-N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]acetamide?
The canonical SMILES for 2-(2-amino-4-hydroxycyclobutyl)-N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]acetamide is NC1CC(O)C1CC(=O)Nc1ccc2nc(-c3ccc(F)cc3)[nH]c2c1.
What is the InChIKey of 2-(2-amino-4-hydroxycyclobutyl)-N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]acetamide?
The InChIKey is IGHYEAYDADMJDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O2/c20-11-3-1-10(2-4-11)19-23-15-6-5-12(7-16(15)24-19)22-18(26)8-13-14(21)9-17(13)25/h1-7,13-14,17,25H,8-9,21H2,(H,22,26)(H,23,24).
What are the key properties of 2-(2-amino-4-hydroxycyclobutyl)-N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]acetamide?
2-(2-amino-4-hydroxycyclobutyl)-N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]acetamide has a molecular weight of 354.39 g/mol, XLogP of 2.41, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-hydroxycyclobutyl)-N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]acetamide is sourced from PubChem (CID 166322510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).