(1S)-2,2-dimethyl-N-[6-methyl-1-(3-methyl-1,2-oxazol-5-yl)benzimidazol-2-yl]cyclopropane-1-carboxamide

C18H20N4O2 — CID 118941495

IUPAC(1S)-2,2-dimethyl-N-[6-methyl-1-(3-methyl-1,2-oxazol-5-yl)benzimidazol-2-yl]cyclopropane-1-carboxamide
SMILESCc1ccc2nc(NC(=O)[C@H]3CC3(C)C)n(-c3cc(C)no3)c2c1
InChIInChI=1S/C18H20N4O2/c1-10-5-6-13-14(7-10)22(15-8-11(2)21-24-15)17(19-13)20-16(23)12-9-18(12,3)4/h5-8,12H,9H2,1-4H3,(H,19,20,23)/t12-/m1/s1
InChIKeyKIELZZKNGOXMJZ-GFCCVEGCSA-N
MW324.38 g/mol
LogP3.61
Rot. Bonds3

About (1S)-2,2-dimethyl-N-[6-methyl-1-(3-methyl-1,2-oxazol-5-yl)benzimidazol-2-yl]cyclopropane-1-carboxamide

(1S)-2,2-dimethyl-N-[6-methyl-1-(3-methyl-1,2-oxazol-5-yl)benzimidazol-2-yl]cyclopropane-1-carboxamide (PubChem CID 118941495) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is (1S)-2,2-dimethyl-N-[6-methyl-1-(3-methyl-1,2-oxazol-5-yl)benzimidazol-2-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name(1S)-2,2-dimethyl-N-[6-methyl-1-(3-methyl-1,2-oxazol-5-yl)benzimidazol-2-yl]cyclopropane-1-carboxamide
PubChem CID118941495
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name(1S)-2,2-dimethyl-N-[6-methyl-1-(3-methyl-1,2-oxazol-5-yl)benzimidazol-2-yl]cyclopropane-1-carboxamide
SMILESCc1ccc2nc(NC(=O)[C@H]3CC3(C)C)n(-c3cc(C)no3)c2c1
InChIInChI=1S/C18H20N4O2/c1-10-5-6-13-14(7-10)22(15-8-11(2)21-24-15)17(19-13)20-16(23)12-9-18(12,3)4/h5-8,12H,9H2,1-4H3,(H,19,20,23)/t12-/m1/s1
InChIKeyKIELZZKNGOXMJZ-GFCCVEGCSA-N
XLogP3.61
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1S)-2,2-dimethyl-N-[6-methyl-1-(3-methyl-1,2-oxazol-5-yl)benzimidazol-2-yl]cyclopropane-1-carboxamide?
The IUPAC name of (1S)-2,2-dimethyl-N-[6-methyl-1-(3-methyl-1,2-oxazol-5-yl)benzimidazol-2-yl]cyclopropane-1-carboxamide (CID 118941495) is (1S)-2,2-dimethyl-N-[6-methyl-1-(3-methyl-1,2-oxazol-5-yl)benzimidazol-2-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for (1S)-2,2-dimethyl-N-[6-methyl-1-(3-methyl-1,2-oxazol-5-yl)benzimidazol-2-yl]cyclopropane-1-carboxamide?
The canonical SMILES for (1S)-2,2-dimethyl-N-[6-methyl-1-(3-methyl-1,2-oxazol-5-yl)benzimidazol-2-yl]cyclopropane-1-carboxamide is Cc1ccc2nc(NC(=O)[C@H]3CC3(C)C)n(-c3cc(C)no3)c2c1.
What is the InChIKey of (1S)-2,2-dimethyl-N-[6-methyl-1-(3-methyl-1,2-oxazol-5-yl)benzimidazol-2-yl]cyclopropane-1-carboxamide?
The InChIKey is KIELZZKNGOXMJZ-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-10-5-6-13-14(7-10)22(15-8-11(2)21-24-15)17(19-13)20-16(23)12-9-18(12,3)4/h5-8,12H,9H2,1-4H3,(H,19,20,23)/t12-/m1/s1.
What are the key properties of (1S)-2,2-dimethyl-N-[6-methyl-1-(3-methyl-1,2-oxazol-5-yl)benzimidazol-2-yl]cyclopropane-1-carboxamide?
(1S)-2,2-dimethyl-N-[6-methyl-1-(3-methyl-1,2-oxazol-5-yl)benzimidazol-2-yl]cyclopropane-1-carboxamide has a molecular weight of 324.38 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2,2-dimethyl-N-[6-methyl-1-(3-methyl-1,2-oxazol-5-yl)benzimidazol-2-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 118941495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).