N-(3-chloro-2-propan-2-yloxyphenyl)-2-(2-cyclopropylbenzimidazol-1-yl)acetamide

C21H22ClN3O2 — CID 86970901

IUPACN-(3-chloro-2-propan-2-yloxyphenyl)-2-(2-cyclopropylbenzimidazol-1-yl)acetamide
SMILESCC(C)Oc1c(Cl)cccc1NC(=O)Cn1c(C2CC2)nc2ccccc21
InChIInChI=1S/C21H22ClN3O2/c1-13(2)27-20-15(22)6-5-8-17(20)23-19(26)12-25-18-9-4-3-7-16(18)24-21(25)14-10-11-14/h3-9,13-14H,10-12H2,1-2H3,(H,23,26)
InChIKeyAPJRKXNTCRONTM-UHFFFAOYSA-N
MW383.88 g/mol
LogP4.99
Rot. Bonds6

About N-(3-chloro-2-propan-2-yloxyphenyl)-2-(2-cyclopropylbenzimidazol-1-yl)acetamide

N-(3-chloro-2-propan-2-yloxyphenyl)-2-(2-cyclopropylbenzimidazol-1-yl)acetamide (PubChem CID 86970901) has the molecular formula C21H22ClN3O2 and a molecular weight of 383.88 g/mol. Its IUPAC name is N-(3-chloro-2-propan-2-yloxyphenyl)-2-(2-cyclopropylbenzimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-chloro-2-propan-2-yloxyphenyl)-2-(2-cyclopropylbenzimidazol-1-yl)acetamide
PubChem CID86970901
Molecular FormulaC21H22ClN3O2
Molecular Weight383.88 g/mol
Exact Mass383.14
IUPAC NameN-(3-chloro-2-propan-2-yloxyphenyl)-2-(2-cyclopropylbenzimidazol-1-yl)acetamide
SMILESCC(C)Oc1c(Cl)cccc1NC(=O)Cn1c(C2CC2)nc2ccccc21
InChIInChI=1S/C21H22ClN3O2/c1-13(2)27-20-15(22)6-5-8-17(20)23-19(26)12-25-18-9-4-3-7-16(18)24-21(25)14-10-11-14/h3-9,13-14H,10-12H2,1-2H3,(H,23,26)
InChIKeyAPJRKXNTCRONTM-UHFFFAOYSA-N
XLogP4.99
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.88
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chlorophenyl)-2-(2-cyclopropylbenzimidazol-1-yl)acetamide
CID 17028771
2-(2-cyclopropylbenzimidazol-1-yl)-N-(2-ethylphenyl)acetamide
CID 17028774
2-(2-cyclohexylbenzimidazol-1-yl)-N-(2-ethylphenyl)acetamide
CID 17028725
(3R)-3-(2-chlorophenyl)-3-[[2-(2-cyclopropylbenzimidazol-1-yl)acetyl]amino]propanoic acid
CID 97233557
N-(2-chlorophenyl)-2-[2-(oxolan-2-yl)benzimidazol-1-yl]acetamide
CID 17033270
2-(2-cyclopropylbenzimidazol-1-yl)-N-[5-(1-methoxyethyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 134699026
N-(2-butan-2-ylpyrazol-3-yl)-2-(2-cyclopropylbenzimidazol-1-yl)acetamide
CID 46990812
2-(2-cyclopropylbenzimidazol-1-yl)-N-propylacetamide
CID 17028756
N-(4-bromo-2-fluorophenyl)-2-(2-cyclopropylbenzimidazol-1-yl)acetamide
CID 134025315
2-(2-cyclopropylbenzimidazol-1-yl)-N-[4-methoxy-3-[(2-methoxyacetyl)amino]phenyl]acetamide
CID 131941468
2-(2-cyclopropylbenzimidazol-1-yl)-N-[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]acetamide
CID 95211780
(2S)-2-[[2-(2-cyclopropylbenzimidazol-1-yl)acetyl]amino]-2-methylbutanoic acid
CID 97095427

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-propan-2-yloxyphenyl)-2-(2-cyclopropylbenzimidazol-1-yl)acetamide?
The IUPAC name of N-(3-chloro-2-propan-2-yloxyphenyl)-2-(2-cyclopropylbenzimidazol-1-yl)acetamide (CID 86970901) is N-(3-chloro-2-propan-2-yloxyphenyl)-2-(2-cyclopropylbenzimidazol-1-yl)acetamide.
What is the SMILES notation for N-(3-chloro-2-propan-2-yloxyphenyl)-2-(2-cyclopropylbenzimidazol-1-yl)acetamide?
The canonical SMILES for N-(3-chloro-2-propan-2-yloxyphenyl)-2-(2-cyclopropylbenzimidazol-1-yl)acetamide is CC(C)Oc1c(Cl)cccc1NC(=O)Cn1c(C2CC2)nc2ccccc21.
What is the InChIKey of N-(3-chloro-2-propan-2-yloxyphenyl)-2-(2-cyclopropylbenzimidazol-1-yl)acetamide?
The InChIKey is APJRKXNTCRONTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3O2/c1-13(2)27-20-15(22)6-5-8-17(20)23-19(26)12-25-18-9-4-3-7-16(18)24-21(25)14-10-11-14/h3-9,13-14H,10-12H2,1-2H3,(H,23,26).
What are the key properties of N-(3-chloro-2-propan-2-yloxyphenyl)-2-(2-cyclopropylbenzimidazol-1-yl)acetamide?
N-(3-chloro-2-propan-2-yloxyphenyl)-2-(2-cyclopropylbenzimidazol-1-yl)acetamide has a molecular weight of 383.88 g/mol, XLogP of 4.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-propan-2-yloxyphenyl)-2-(2-cyclopropylbenzimidazol-1-yl)acetamide is sourced from PubChem (CID 86970901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).